(2-{[(3R,5R,6S)-6-(4-Chloro-3-Fluorophenyl)-5-(3-Chlorophenyl)-1-{(1S)-1-Cyclopropyl-2-[(2-Methyl-2-Propanyl)Sulfonyl]Ethyl}-3-Methyl-2-Oxo-3-Piperidinyl]Methyl}-1,3-Thiazol-5-Yl)Acetic Acid

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Formula C33H37Cl2FN2O5S2
IUPAC Name 2-[2-[[(3r,5r,6s)-1-[(1s)-2-tert-butylsulfonyl-1-cyclopropyl-ethyl]-6-(4-chloro-3-fluoro-phenyl)-5-(3-chlorophenyl)-3-methyl-2-oxo-3-piperidyl]methyl]thiazol-5-yl]acetic acid
Molecular Mass 695.692 g·mol−1
Heat of Formation -968.8 ± 16.7 kJ·mol−1
Dipole Moment 8.54 ± 1.08 D
Volume 784.82 Å 3
Surface Area 547.38 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey HNLHOKSDTBAERS-CWIPYCOQSA-N
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