(3R)-3-[(1S)-4-Acetamido-1-(3-Chlorophenyl)-1-Hydroxybutyl]-N-[(2S)-1-Cyclohexyl-3-(Methylamino)-2-Propanyl]-1-Piperidinecarboxamide

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Properties Simple | Detailed

Formula C28H45ClN4O3
IUPAC Name (3r)-3-[(1s)-4-acetamido-1-(3-chlorophenyl)-1-hydroxy-butyl]-n-[(1s)-1-(cyclohexylmethyl)-2-(methylamino)ethyl]piperidine-1-carboxamide
Molecular Mass 521.135 g·mol−1
Heat of Formation -780.0 ± 16.7 kJ·mol−1
Dipole Moment 7.99 ± 1.08 D
Volume 664.59 Å 3
Surface Area 525.93 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
InChIKey PPGUIDOUTGLYCO-MAARLIENSA-N
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