Formula |
C13H19N3O6S2 |
IUPAC Name |
(e)-n-[(1r)-1-(hydroxymethyl)-2-[(r)-[(r)-methylsulfinyl]methylsulfinyl]ethyl]-3-(6-methyl-2,4-dioxo-1h-pyrimidin-5-yl)prop-2-enamide |
Molecular Mass |
377.436 g·mol−1 |
Heat of Formation |
-923.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.93 ± 1.08 D |
Volume |
418.47 Å 3 |
Surface Area |
379.28 Å 2 |
HOMO Energy |
-8.99 ± 0.55 eV |
LUMO Energy |
-0.75 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZIMCIWWBWLSQCN-WCWSMMPZSA-N |
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Links |
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Elements |
H
S
C
O
N
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