N-{[(2E)-2-(4-Nitrobenzylidene)Hydrazino]Carbonothioyl}-β-D-Glucopyranosylamine

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Properties Simple | Detailed

Formula C14H38N4O7S
IUPAC Name 1-[(e)-(4-nitrophenyl)methyleneamino]-3-[(6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]thiourea
Molecular Mass 407.547 g·mol−1
Heat of Formation -648.1 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 423.02 Å 3
Surface Area 379.12 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
InChIKey GUSXRMQWONZMDY-IVSPNHRTSA-N
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