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

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Properties Simple | Detailed

Formula C14H16N4O7S
IUPAC Name hydron; 1-[(6z)-4-hydroxy-6-(hydroxymethylene)-3h-pyran-3-id-2-yl]-3-[(e)-(2-nitrophenyl)methyleneamino]thiourea; dihydrate
Molecular Mass 388.396 g·mol−1
Heat of Formation -412.1 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 453.97 Å 3
Surface Area 408.49 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
InChIKey HIBBBAGNJNCOKR-ARDSGTFASA-N
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