5-[2-Ethoxy-5-(4-Ethylpiperazin-1-Yl)Sulfonyl-Phenyl]-1-Methyl-3-Propyl-4H-Pyrazolo[4,3-D]Pyrimidine-1,6-Diium-3A-Ylium-7-Thione

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Properties Simple | Detailed

Formula C23H32N6O3S2
IUPAC Name 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidine-1,6-diium-3a-ylium-7-thione
Molecular Mass 504.669 g·mol−1
Heat of Formation -119.3 ± 16.7 kJ·mol−1
Dipole Moment 9.89 ± 1.08 D
Volume 593.01 Å 3
Surface Area 487.62 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry C1
InChIKey HQTQTMNULFDBOW-UHFFFAOYSA-O
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