Methyl (4S)-3-(4-Chlorophenyl)-4-Methyl-1-{[4-(Trifluoromethyl)Phenyl]Carbamoyl}-4,5-Dihydro-1H-Pyrazole-4-Carboxylate

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Formula C20H17ClF3N3O3
IUPAC Name methyl (4s)-5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3h-pyrazole-4-carboxylate
Molecular Mass 439.815 g·mol−1
Heat of Formation -898.8 ± 16.7 kJ·mol−1
Dipole Moment 7.35 ± 1.08 D
Volume 469.02 Å 3
Surface Area 414.07 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey NWYXCHPAIGQKNN-IBGZPJMESA-N
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Elements C F H Cl O N