Formula |
C17H19N3O6S |
IUPAC Name |
(e)-n-[(1r)-1-(hydroxymethyl)-2-[(s)-(4-hydroxyphenyl)sulfinyl]ethyl]-3-(6-methyl-2,4-dioxo-1h-pyrimidin-5-yl)prop-2-enamide |
Molecular Mass |
393.414 g·mol−1 |
Heat of Formation |
-856.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.62 ± 1.08 D |
Volume |
442.13 Å 3 |
Surface Area |
396.44 Å 2 |
HOMO Energy |
-8.65 ± 0.55 eV |
LUMO Energy |
-0.79 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NKOFJXQHTGNBQI-DHLYCJLRSA-N |
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Elements |
H
S
C
O
N
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