3-(8-Cyclopentyl-2,6-Dioxo-1-Propyl-7H-Purin-9-Ium-5-Id-3-Yl)Propyl 4-Fluorosulfonylbenzoate

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Formula C23H28FN4O6S
IUPAC Name 3-(8-cyclopentyl-2,6-dioxo-1-propyl-7h-purin-9-ium-5-id-3-yl)propyl 4-fluorosulfonylbenzoate
Molecular Mass 507.555 g·mol−1
Heat of Formation -1128.7 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 565.74 Å 3
Surface Area 454.79 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
InChIKey JJCDLVQCBNPBPZ-UHFFFAOYSA-P
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