5-[4-({[4-(5-Carboxy-2-Furyl)-2-Chlorobenzoyl]Amino}Methyl)Phenyl]-1-(3,4-Dichlorophenyl)-1H-Pyrazole-3-Carboxylic Acid

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Formula C29H18Cl3N3O6
IUPAC Name 5-[4-[[[4-(5-carboxy-2-furyl)-2-chloro-benzoyl]amino]methyl]phenyl]-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
Molecular Mass 610.829 g·mol−1
Heat of Formation -490.8 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 651.01 Å 3
Surface Area 559.34 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey KMDVWGXHTUXJOW-UHFFFAOYSA-N
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