Nbti

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Formula C17H17N5O6S
IUPAC Name (2r,3s,4s,5s)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-ium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 419.412 g·mol−1
Heat of Formation -372.1 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 449.17 Å 3
Surface Area 392.51 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
InChIKey DYCJFJRCWPVDHY-CVGURMSBSA-N
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