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

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Formula C31H23Cl2N3O6
IUPAC Name 5-[4-[[acetyl-[[4-(5-carboxy-2-furyl)phenyl]methyl]amino]methyl]phenyl]-1-(3,4-dichlorophenyl)-4h-pyrazol-1-ium-4-ide-3-carboxylic acid
Molecular Mass 604.437 g·mol−1
Heat of Formation -495.5 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 671.58 Å 3
Surface Area 566.45 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.53 ± eV
Point Group Symmetry C1
InChIKey BZWATIDSWCBFFH-UHFFFAOYSA-N
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