N-[5-[(1-Cycloheptylpyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-6-Yl)Amino]Pyridin-1-Ium-5-Id-2-Yl]Methanesulfonamide

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Properties Simple | Detailed

Formula C18H25N7O2S
IUPAC Name n-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-6-yl)amino]pyridin-1-ium-5-id-2-yl]methanesulfonamide
Molecular Mass 403.502 g·mol−1
Heat of Formation 50.1 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 456.39 Å 3
Surface Area 405.43 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey XJSMSQGEQXUYJL-UHFFFAOYSA-O
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