(2E)-N-{1-Hydroxy-3-[(4-Hydroxyphenyl)Sulfinyl]-2-Propanyl}-3-(6-Methyl-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)Acrylamide

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Properties Simple | Detailed

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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