N-(4-{[1-(Tetrahydro-2H-Pyran-4-Yl)-4-Piperidinyl]Sulfonyl}Benzyl)-2H-Pyrrolo[3,4-C]Pyridine-2-Carboxamide

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Formula C25H30N4O4S
IUPAC Name n-[[4-[(1-tetrahydropyran-4-yl-4-piperidyl)sulfonyl]phenyl]methyl]-3h-pyrrolo[3,4-c]pyridin-2-ium-3-ylium-2-carboxamide
Molecular Mass 482.595 g·mol−1
Heat of Formation -325.0 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 559.81 Å 3
Surface Area 484.39 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey MQRGBJFQXJYKOD-UHFFFAOYSA-N
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