Formula |
C28H35Cl2NO5S |
IUPAC Name |
2-[(3r,5r,6s)-1-[(1s)-1-(tert-butylsulfonylmethyl)propyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-piperidyl]acetic acid |
Molecular Mass |
568.552 g·mol−1 |
Heat of Formation |
-985.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.95 ± 1.08 D |
Volume |
655.12 Å 3 |
Surface Area |
470.63 Å 2 |
HOMO Energy |
-9.43 ± 0.55 eV |
LUMO Energy |
-0.60 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AXQMSOFCQLTJGV-ZJTSJXPUSA-N |
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Elements |
C
Cl
H
O
N
S
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