8-[4-(4-Benzylpiperazin-1-Yl)Sulfonylphenyl]-1-Propyl-3,7-Dihydropurin-9-Ium-5-Ide-2,6-Dione

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Formula C25H29N6O4S
IUPAC Name 8-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-1-propyl-3,7-dihydropurin-9-ium-5-ide-2,6-dione
Molecular Mass 509.601 g·mol−1
Heat of Formation -299.2 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 584.29 Å 3
Surface Area 496.36 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
InChIKey OSPTVJGXLVYQTM-UHFFFAOYSA-P
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