N-{5-[3-(3-Cyanophenyl)-1H-Pyrrolo[2,3-B]Pyridin-5-Yl]-3-Pyridinyl}Benzenesulfonamide

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Formula C25H17N5O2S
IUPAC Name n-[5-[3-(3-cyanophenyl)pyrrolo[2,3-b]pyridin-1-ium-5-yl]-3-pyridyl]benzenesulfonamide
Molecular Mass 451.500 g·mol−1
Heat of Formation 350.6 ± 16.7 kJ·mol−1
Dipole Moment 10.09 ± 1.08 D
Volume 517.42 Å 3
Surface Area 406.57 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
InChIKey XGGVVWAAMVIBHH-UHFFFAOYSA-N
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