C 18 H 32 N 6 O 7

DSpace/Manakin Repository

C 18 H 32 N 6 O 7

dc.contributor Henry S Rzepa
dc.date.accessioned 2011-04-09T10:07:49Z
dc.date.available 2011-04-09T10:07:49Z
dc.date.issued 2011-04-09T10:07:49Z
dc.identifier InChI=1/C18H33N6O7/c1-7(19)13(25)20-8(2)14(26)21-9(3)15(27)22-10(4)16(28)23-11(5)17(29)24-12(6)18(30)31/h7-12H,1-6,19H3,(H,20,25)(H,21,26)(H,22,27)(H,23,28)(H,24,29)(H,30,31)/t7-,8-,9-,10-,11-,12-/m0/s1
dc.identifier InChIKey=SGXBYSXABWPUCS-ZNSCXOEOSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-8251
dc.identifier.uri http://dx.doi.org/10.14469/ch/8226
dc.description.uri blog
dc.description.uri right zw
dc.format.extent 3887 bytes
dc.format.extent 2789271 bytes
dc.format.extent 14097052 bytes
dc.format.extent 7570 bytes
dc.format.extent 240 bytes
dc.format.extent 95 bytes
dc.format.extent 2450166 bytes
dc.format.extent 4 bytes
dc.format.extent 9 bytes
dc.format.extent 11698 bytes
dc.format.extent 17860 bytes
dc.format.extent 13945 bytes
dc.format.mimetype chemical/x-gaussian-input
dc.format.mimetype chemical/x-gaussian-log
dc.format.mimetype chemical/x-gaussian-checkpoint
dc.format.mimetype chemical/x-cml
dc.format.mimetype chemical/x-inchi
dc.format.mimetype chemical/x-smiles
dc.format.mimetype application/octet-stream
dc.format.mimetype text/plain
dc.format.mimetype text/plain
dc.format.mimetype chemical/x-cml
dc.format.mimetype chemical/x-cml
dc.format.mimetype application/xml
dc.language.iso en_US
dc.publisher Imperial College London
dc.rights.uri Henry S Rzepa
dc.subject.ddc InChI=1/C18H33N6O7/c1-7(19)13(25)20-8(2)14(26)21-9(3)15(27)22-10(4)16(28)23-11(5)17(29)24-12(6)18(30)31/h7-12H,1-6,19H3,(H,20,25)(H,21,26)(H,22,27)(H,23,28)(H,24,29)(H,30,31)/t7-,8-,9-,10-,11-,12-/m0/s1
dc.subject.ddc InChIKey=SGXBYSXABWPUCS-ZNSCXOEOSA-N
dc.subject.ddc C([C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC([C@@H](NC([C@H](C)NC(=O)[C@H](C)[NH3])=O)C)=O)C)C)(=O)O
dc.subject.ddc CX1-27-2-4
dc.subject.ddc FOpt
dc.subject.ddc RwB97XD
dc.subject.ddc 6-311G(d,p)
dc.subject.ddc cpcm
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A
dc.subject.ddc -1560.3748347
dc.subject.ddc 8.854e-09
dc.subject.ddc 1.023e-05
dc.subject.ddc X(C18H32N6O7)
dc.subject.ddc CX1-27-2-4
dc.subject.ddc Freq
dc.subject.ddc RwB97XD
dc.subject.ddc 6-311G(d,p)
dc.subject.ddc Check
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A
dc.subject.ddc -1560.3748347
dc.subject.ddc 3.461e-09
dc.subject.ddc 1.023e-05
dc.subject.ddc 340.0525475,0.4328743,324.8149409,-3.9923561,-8.3331747,313.4620532
dc.subject.ddc X(C18H32N6O7)
dc.title C 18 H 32 N 6 O 7
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 3.795Kb chemical/x-gaussian-input View/Open
logfile.out 2.660Mb chemical/x-gaussian-log View/Open
checkpoint.fchk 13.44Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 7.392Kb chemical/x-cml View/Open
inchi.txt 240bytes chemical/x-inchi View/Open
smiles.txt 95bytes chemical/x-smiles View/Open
wavefunction.wfn 2.336Mb chemical/x-wavefunction View/Open
project.txt 4bytes Text file View/Open
description.txt 9bytes Text file View/Open
archive-cml-1.xml 11.42Kb chemical/x-cml View/Open
archive-cml-2.xml 17.44Kb chemical/x-cml View/Open

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