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

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Properties Simple | Detailed

Formula C27H31Cl2NO5
IUPAC Name 2-[(3r,5r,6s)-1-[(1s)-1-tert-butoxycarbonylpropyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxo-3-piperidyl]acetic acid
Molecular Mass 520.445 g·mol−1
Heat of Formation -995.9 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 616.85 Å 3
Surface Area 467.5 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey ZEMLYWMOSZRCQL-UWSZBUKDSA-N
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Elements H C N O Cl