1-(2-{[(2-Chloro-4,5-Difluorobenzoyl)Carbamoyl]Amino}-4-Fluorophenyl)-4-Piperidinecarboxylic Acid

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Formula C20H17ClF3N3O4
IUPAC Name 1-[2-[(2-chloro-4,5-difluoro-benzoyl)carbamoylamino]-4-fluoro-phenyl]piperidine-4-carboxylic acid
Molecular Mass 455.815 g·mol−1
Heat of Formation -1142.4 ± 16.7 kJ·mol−1
Dipole Moment 8.10 ± 1.08 D
Volume 489.86 Å 3
Surface Area 411.02 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry C1
InChIKey KAJJGOCSAXKXBD-UHFFFAOYSA-N
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Elements C Cl H F O N