Formula |
C13H19N3O5S2 |
IUPAC Name |
(e)-n-[(1r)-1-(hydroxymethyl)-2-[(r)-methylsulfanylmethylsulfinyl]ethyl]-3-(6-methyl-2,4-dioxo-1h-pyrimidin-5-yl)prop-2-enamide |
Molecular Mass |
361.437 g·mol−1 |
Heat of Formation |
-784.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.98 ± 1.08 D |
Volume |
407.78 Å 3 |
Surface Area |
371.58 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
-0.66 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XKLZIVIOZDNKEQ-IXBCGMGTSA-N |
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Links |
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Elements |
H
S
C
O
N
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