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

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Properties Simple | Detailed

Formula C14H18BrN3O5S
IUPAC Name 1-[(e)-(4-bromophenyl)methyleneamino]-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]thiourea
Molecular Mass 420.279 g·mol−1
Heat of Formation -617.3 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 425.43 Å 3
Surface Area 378.05 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
InChIKey BNLZUNIPJMEPID-QCOQDYPWSA-N
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Elements C H O N S Br