(2E)-N-{(2S)-1-Hydroxy-3-[(R)-{[(R)-Methylsulfinyl]Methyl}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 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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