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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Links |
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Elements |
H
C
N
O
Cl
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