N-[4-(Phenylsulfonyl)Benzyl]-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxamide

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Formula C20H16N4O3S
IUPAC Name n-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[3,4-b]pyridin-2-ium-7a-ylium-5-carboxamide
Molecular Mass 392.431 g·mol−1
Heat of Formation 68.3 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 433.69 Å 3
Surface Area 390.47 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
InChIKey GSOKXULJBKNHLF-UHFFFAOYSA-N
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