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

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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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