Formula |
C16H20N2O10S2 |
IUPAC Name |
[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1z)-2-(4-hydroxy-1h-indol-3-yl)-n-sulfooxy-ethanimidothioate |
Molecular Mass |
464.467 g·mol−1 |
Heat of Formation |
479.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.07 ± 1.08 D |
Volume |
424.61 Å 3 |
Surface Area |
354.66 Å 2 |
HOMO Energy |
-9.14 ± 0.55 eV |
LUMO Energy |
-3.43 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CSMYCLLHRFFFLG-WVGMDVCISA-M |
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Elements |
C
S
O
N
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