(3R,4S)-1-[(4-Amino-5H-Pyrrolo[3,2-D]Pyrimidin-7-Yl)Methyl]-4-{[(4-Chlorophenyl)Sulfanyl]Methyl}-3-Pyrrolidinol

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Formula C18H20ClN5OS
IUPAC Name (1s,3r,4s)-1-[(4-aminopyrrolo[3,2-d]pyrimidin-5-ium-4a-ylium-7-yl)methyl]-4-[(4-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol
Molecular Mass 389.902 g·mol−1
Heat of Formation 145.6 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 447.01 Å 3
Surface Area 393.9 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey MZZBHZOHYGEGEE-DOMZBBRYSA-N
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