5-Formamido-1-(2,3,5-Tri-O-Formylpentofuranosyl)-1H-Imidazole-4-Carbothioamide

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Formula C13H14N4O8S
IUPAC Name [(2s,3r,4s,5r)-5-(4-carbamothioyl-5-formamido-imidazol-1-ium-5-ylium-1-yl)-3,4-diformyloxy-tetrahydrofuran-2-yl]methyl formate
Molecular Mass 386.337 g·mol−1
Heat of Formation -1083.6 ± 16.7 kJ·mol−1
Dipole Moment 8.17 ± 1.08 D
Volume 405.51 Å 3
Surface Area 346.38 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey DQTIIYOPXVPKDM-ZLGIUQBVSA-N
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