Formula |
C27H43ClN4O2 |
IUPAC Name |
(3s,5r)-5-[(1s)-4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-n-(1-isobutyl-3-methyl-butyl)piperidine-3-carboxamide |
Molecular Mass |
491.109 g·mol−1 |
Heat of Formation |
-521.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.82 ± 1.08 D |
Volume |
630.94 Å 3 |
Surface Area |
505.57 Å 2 |
HOMO Energy |
-8.96 ± 0.55 eV |
LUMO Energy |
-0.49 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VVEBLTKFUFYNOR-RBBKRZOGSA-N |
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Elements |
H
C
Cl
O
N
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