4-[(4-Bromo-2-{[(3R,5S)-3,5-Dimethyl-1-Piperidinyl]Carbonyl}Phenyl)Amino]-4-Oxobutanoic Acid

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Formula C18H23BrN2O4
IUPAC Name 4-[4-bromo-2-[(3r,5s)-3,5-dimethylpiperidine-1-carbonyl]anilino]-4-oxo-butanoic acid
Molecular Mass 411.290 g·mol−1
Heat of Formation -776.5 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 441.74 Å 3
Surface Area 382.36 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey JSVSGWHGYIDZFX-TXEJJXNPSA-N
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Elements H C Br O N