| Formula |
C29H39ClN4O4S |
| IUPAC Name |
(2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2r)-2-(benzylsulfonylamino)-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide |
| Molecular Mass |
575.162 g·mol−1 |
| Heat of Formation |
-695.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.07 ± 1.08 D |
| Volume |
687.57 Å 3 |
| Surface Area |
551.44 Å 2 |
| HOMO Energy |
-9.30 ± 0.55 eV |
| LUMO Energy |
2.85 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
SMGIPPNIBFQJBW-SXOMAYOGSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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