Formula |
C18H21N3O5S |
IUPAC Name |
(e)-n-[(1r)-1-[[(r)-benzylsulfinyl]methyl]-2-hydroxy-ethyl]-3-(6-methyl-2,4-dioxo-1h-pyrimidin-5-yl)prop-2-enamide |
Molecular Mass |
391.441 g·mol−1 |
Heat of Formation |
-683.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.22 ± 1.08 D |
Volume |
454.39 Å 3 |
Surface Area |
410.46 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
-1.01 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YLMGINPOMBXUKT-KSPOCOSDSA-N |
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Links |
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Elements |
H
S
C
O
N
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