N-{(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-Hydroxy-3,3-Dimethyl-1-Piperidinyl]-3-Methyl-1-Oxo-2-Butanyl}-3-Hydroxy-3-Methylbutanamide

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Properties Simple | Detailed

Formula C23H35ClN2O4
IUPAC Name n-[(1r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethyl-piperidine-1-carbonyl]-2-methyl-propyl]-3-hydroxy-3-methyl-butanamide
Molecular Mass 438.988 g·mol−1
Heat of Formation -966.0 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 543.23 Å 3
Surface Area 423.2 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey PTNKPLPRPJERNR-XXBNENTESA-N
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Elements H C N O Cl