N-(4-{[3-(Trifluoromethyl)Phenyl]Sulfonyl}Benzyl)-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxamide

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Formula C21H15F3N4O3S
IUPAC Name n-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
Molecular Mass 460.429 g·mol−1
Heat of Formation -600.7 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 481.27 Å 3
Surface Area 428.81 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey LKBHAGGICJWHQQ-UHFFFAOYSA-N
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