Formula |
C28H35Cl2NO5S |
IUPAC Name |
2-[(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(isopropylsulfonylmethyl)-2-methyl-propyl]-3-methyl-2-oxo-3-piperidyl]acetic acid |
Molecular Mass |
568.552 g·mol−1 |
Heat of Formation |
-1015.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.85 ± 1.08 D |
Volume |
659.61 Å 3 |
Surface Area |
472.67 Å 2 |
HOMO Energy |
-9.46 ± 0.55 eV |
LUMO Energy |
-0.32 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DRLCSJFKKILATL-YWCVFVGNSA-N |
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Elements |
C
Cl
H
O
N
S
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