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

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Properties Simple | Detailed

Formula C23H25Cl2NO4
IUPAC Name 2-[(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(hydroxymethyl)propyl]-2-oxo-3-piperidyl]acetic acid
Molecular Mass 450.355 g·mol−1
Heat of Formation -736.4 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 521.37 Å 3
Surface Area 395.25 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey MUYVUHCWOCMQPD-CJXUKZFBSA-N
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Elements H C N O Cl