(2E)-3-(2,4-Dihydroxy-6-Methylpyrimidin-5-Yl)-N-[(2S)-1-{[(Ethylsulfanyl)Methyl]Sulfinyl}Propan-2-Yl]Prop-2-Enamide

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Properties Simple | Detailed

Formula C14H21N3O4S2
IUPAC Name (e)-n-[(1s)-2-(ethylsulfanylmethylsulfinyl)-1-methyl-ethyl]-3-(6-methyl-2,4-dioxo-1h-pyrimidin-5-yl)prop-2-enamide
Molecular Mass 359.464 g·mol−1
Heat of Formation -642.2 ± 16.7 kJ·mol−1
Dipole Moment 9.12 ± 1.08 D
Volume 417.36 Å 3
Surface Area 383.9 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey CIOPNRONTBCAKE-QKQSLGTRSA-N
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