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

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Formula C23H24ClNO6S
IUPAC Name (z)-4-[(1s,3s)-1-benzylsulfonyl-3-[(4-chlorophenyl)methyl]-3-piperidyl]-2-hydroxy-4-oxo-but-2-enoic acid
Molecular Mass 477.958 g·mol−1
Heat of Formation -832.4 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 533.76 Å 3
Surface Area 435.36 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
InChIKey FCMIBEDVUPBTKX-BXDIUNCMSA-N
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Elements C Cl H O N S