5-Ethyl-2-[5-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Sulfonyl-2-Propoxy-Phenyl]-7-Propyl-1H-Pyrrolo[3,2-D]Pyrimidine-3,5-Diium-7-Id-4-One

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Formula C26H44N5O5S+
IUPAC Name (2s,4as,7s,7ar)-5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-7-propyl-2,3,4a,6,7,7a-hexahydro-1h-pyrrolo[3,2-d]pyrimidin-1-ium-4-one
Molecular Mass 538.723 g·mol−1
Heat of Formation -663.6 ± 16.7 kJ·mol−1
Dipole Moment 10.74 ± 1.08 D
Volume 636.15 Å 3
Surface Area 526.29 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey LRBAQPAJNUFHKI-UHFFFAOYSA-O
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