N-[3-[(4-Amino-1-Isopropyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-3-Yl)Methyl]Phenyl]Ethanesulfonamide

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Formula C17H23N6O2S
IUPAC Name n-[3-[(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl)methyl]phenyl]ethanesulfonamide
Molecular Mass 375.469 g·mol−1
Heat of Formation -54.8 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 437.76 Å 3
Surface Area 376.06 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
InChIKey SQRIEKBOEZMMFU-UHFFFAOYSA-O
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