Formula |
C28H23Cl3O4S |
IUPAC Name |
[(1s)-1-phenylethyl] 2-[4-chloro-3-[(4s)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxo-cyclohexen-1-yl]sulfanyl-phenyl]acetate |
Molecular Mass |
561.904 g·mol−1 |
Heat of Formation |
-655.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.07 ± 1.08 D |
Volume |
592.21 Å 3 |
Surface Area |
395.77 Å 2 |
HOMO Energy |
-8.51 ± 0.55 eV |
LUMO Energy |
2.49 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SGKXXAIIXVXKBG-LPHOPBHVSA-N |
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Links |
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Elements |
H
C
S
O
Cl
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