1-(5-O-Sulfamoyl-D-Ribofuranosyl)-1H-1,2,4-Triazole-3-Carbonitrile

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Properties Simple | Detailed

Formula C8H11N5O6S
IUPAC Name [(2r,3s,4s,5s)-5-(3-cyano-4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate
Molecular Mass 305.268 g·mol−1
Heat of Formation -676.1 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 314.95 Å 3
Surface Area 278.33 Å 2
HOMO Energy -10.94 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
InChIKey HBBAOIRLQWQUSR-GVYWOMJSSA-N
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