Formula |
C23H32ClN3O3 |
IUPAC Name |
(2s)-1-[(2r)-2-acetamido-3-cyclohexyl-propanoyl]-n-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide |
Molecular Mass |
433.971 g·mol−1 |
Heat of Formation |
-623.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.18 ± 1.08 D |
Volume |
533.43 Å 3 |
Surface Area |
452.16 Å 2 |
HOMO Energy |
-9.38 ± 0.55 eV |
LUMO Energy |
-0.39 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NEBILTDHZWSWJN-RTWAWAEBSA-N |
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Elements |
H
C
Cl
O
N
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