N-[2-(Dimethylamino)Ethyl]-4-(2,6-Dioxo-1,3-Dipropyl-7H-Purin-9-Ium-5-Id-8-Yl)-N-Methyl-Benzenesulfonamide

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Properties Simple | Detailed

Formula C22H33N6O4S
IUPAC Name n-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7h-purin-9-ium-5-id-8-yl)-n-methyl-benzenesulfonamide
Molecular Mass 477.600 g·mol−1
Heat of Formation -503.6 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 572.42 Å 3
Surface Area 493.64 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
InChIKey HMZVYCSWJKANBB-UHFFFAOYSA-P
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