1-[(2-Hydroxyethoxy)Methyl]-5-(Phenylsulfanyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C13H14N2O4S++
IUPAC Name 1-(2-hydroxyethoxymethyl)-5-phenylsulfanyl-pyrimidin-1-ium-5-ylium-2,4-dione
Molecular Mass 294.326 g·mol−1
Heat of Formation -557.8 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 334.82 Å 3
Surface Area 281.96 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey YWJXYUXIPSIOGG-UHFFFAOYSA-P
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