[(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-3-Methyl-1-{(2S)-1-[(2-Methyl-2-Propanyl)Sulfonyl]-2-Butanyl}-2-Oxo-3-Piperidinyl]Acetic Acid

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Properties Simple | Detailed

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