(1S)-1-Phenylethyl (4-Chloro-3-{[(4S)-4-(2,6-Dichlorophenyl)-2-Hydroxy-6-Oxo-1-Cyclohexen-1-Yl]Sulfanyl}Phenyl)Acetate

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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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Elements H C S O Cl