Formula |
C13H19N3O5S2 |
IUPAC Name |
(2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-{[(methylsulfanyl)methyl]sulfinyl}propan-2-yl)prop-2-enamide |
Molecular Mass |
361.437 g·mol−1 |
Heat of Formation |
-799.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.48 ± 1.08 D |
Volume |
406.73 Å 3 |
Surface Area |
367.78 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
2.07 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XKLZIVIOZDNKEQ-IXBCGMGTSA-P |
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Elements |
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