5-[2-Ethoxy-5-(4-Methylpiperazin-1-Yl)Sulfonyl-Phenyl]-1-Methyl-3-Propyl-6H-Pyrazolo[4,3-D]Pyrimidin-4-Ium-7A-Id-7-One

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Formula C22H31N6O4S
IUPAC Name 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-6h-pyrazolo[4,3-d]pyrimidin-4-ium-7a-id-7-one
Molecular Mass 475.584 g·mol−1
Heat of Formation -376.2 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 553.4 Å 3
Surface Area 468.68 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey LZPRRFRYJLWSCS-UHFFFAOYSA-O
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