N-[4-(Phenylsulfonyl)Benzyl]-1H-Pyrrolo[3,2-C]Pyridine-2-Carboxamide

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Properties Simple | Detailed

Formula C21H17N3O3S
IUPAC Name n-[[4-(benzenesulfonyl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-ium-2-carboxamide
Molecular Mass 391.443 g·mol−1
Heat of Formation -68.1 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 439.26 Å 3
Surface Area 391.66 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey LGQSNALVWIMFPP-UHFFFAOYSA-N
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