4-[1-(4-Sulfamoylphenyl)-3-(Trifluoromethyl)-1H-Pyrazol-5-Yl](Carboxy-~11~C)Benzoic Acid

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Formula C17H12F3N3O4S
IUPAC Name 4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-2-ium-1-id-3-yl]benzoic acid
Molecular Mass 411.355 g·mol−1
Heat of Formation -936.9 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 421.12 Å 3
Surface Area 369.97 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey WTHNOVFEXONZMI-GKTGUEEDSA-N
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