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

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Properties Simple | Detailed

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