4-({2-[3-(Methylsulfanyl)Propanoyl]-5-Oxo-1-(2-Oxoethyl)-1,5-Dihydro-4H-Imidazol-4-Ylidene}Methyl)Phenolate

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Properties Simple | Detailed

Formula C16H15N2O4S-
IUPAC Name 4-[(e)-[2-(3-methylsulfanylpropanoyl)-5-oxo-1-(2-oxoethyl)imidazol-4-ylidene]methyl]phenolate
Molecular Mass 331.366 g·mol−1
Heat of Formation 2134.3 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 244.53 Å 3
Surface Area 285.51 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -2.68 ± eV
Point Group Symmetry C1
InChIKey POPNGBKQPJVYFV-JLHYYAGUSA-M
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