Formula |
C23H29ClN4O4S |
IUPAC Name |
(2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2r)-2-(benzylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide |
Molecular Mass |
493.019 g·mol−1 |
Heat of Formation |
-610.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.73 ± 1.08 D |
Volume |
572.22 Å 3 |
Surface Area |
466.5 Å 2 |
HOMO Energy |
-9.17 ± 0.55 eV |
LUMO Energy |
-0.55 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MAUGNQAVJWFOOZ-IERDGZPVSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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