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

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Formula C23H39N6O5S+
IUPAC Name (3s,3as,5r,7as)-5-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-3,3a,4,5,6,7a-hexahydro-2h-pyrazolo[4,3-d]pyrimidin-4-ium-7-one
Molecular Mass 511.658 g·mol−1
Heat of Formation -515.2 ± 16.7 kJ·mol−1
Dipole Moment 10.74 ± 1.08 D
Volume 586.49 Å 3
Surface Area 487.72 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
InChIKey NBOTZYRCHNRBDG-UHFFFAOYSA-O
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