3-(1,3-Dimethyl-2,6-Dioxo-1,2,3,6-Tetrahydro-7H-Purin-7-Yl)-2-Hydroxypropyl 2,4-Dichlorobenzoate

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Formula C17H17Cl2N4O5
IUPAC Name [(2s)-3-(1,3-dimethyl-2,6-dioxo-purin-9-ium-5-id-7-yl)-2-hydroxy-propyl] 2,4-dichlorobenzoate
Molecular Mass 428.247 g·mol−1
Heat of Formation -691.6 ± 16.7 kJ·mol−1
Dipole Moment 0.54 ± 1.08 D
Volume 454.05 Å 3
Surface Area 395.64 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey KYTFTNAVIDOEID-JTQLQIEISA-N
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Elements H C N O Cl