1-Deoxy-1-[(4-Isopropylbenzyl)(Sulfanylcarbonothioyl)Amino]Hexitol

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Formula C17H27NO5S2
IUPAC Name (4-isopropylphenyl)methyl-[(2r,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
Molecular Mass 389.530 g·mol−1
Heat of Formation -844.7 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 474.76 Å 3
Surface Area 389.57 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey JEQPSYBWBTWNHF-KLHDSHLOSA-N
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