(2Z)-4-[1-Benzyl-3-(4-Chlorobenzyl)-3-Piperidinyl]-2-Hydroxy-4-Oxo-2-Butenoic Acid

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Properties Simple | Detailed

Formula C23H24ClNO4
IUPAC Name (z)-4-[(1r,3s)-1-benzyl-3-[(4-chlorophenyl)methyl]-3-piperidyl]-2-hydroxy-4-oxo-but-2-enoic acid
Molecular Mass 413.894 g·mol−1
Heat of Formation -505.7 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 489.67 Å 3
Surface Area 400.61 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
InChIKey KBXVCUKTDOSDRY-BXDIUNCMSA-N
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Elements H C N O Cl