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

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Formula C29H19Cl2N3O5S
IUPAC Name 5-[4-[[4-(5-carboxy-2-furyl)phenyl]methylcarbamothioyl]phenyl]-1-(3,4-dichlorophenyl)-4h-pyrazol-1-ium-4-ide-3-carboxylic acid
Molecular Mass 592.449 g·mol−1
Heat of Formation -209.5 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 644.84 Å 3
Surface Area 530.7 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
InChIKey DUABZPJSLNDCHQ-UHFFFAOYSA-N
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Elements C Cl H O N S