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

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Properties Simple | Detailed

Formula C23H32N6O3S2
IUPAC Name 5-[5-[(3s,5r)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxy-phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidine-1,6-diium-7a-ylium-7-thione
Molecular Mass 504.669 g·mol−1
Heat of Formation -165.5 ± 16.7 kJ·mol−1
Dipole Moment 12.33 ± 1.08 D
Volume 595.56 Å 3
Surface Area 477.34 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
InChIKey HOWUGHOBYUDFRL-GINRQUKOSA-O
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