(3S,7R,7Ar)-2,2-Dimethyl-5-Oxohexahydroimidazo[5,1-B][1,3]Thiazole-3,7-Dicarboxylic Acid

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Formula C9H12N2O5S
IUPAC Name (3s,7r,7ar)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic acid
Molecular Mass 260.267 g·mol−1
Heat of Formation -902.4 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 278.42 Å 3
Surface Area 242.77 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7r,7ar)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid
  • (3s,7r,7ar)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic acid
  • (3s,7r,7ar)-5-keto-2,2-dimethyl-3,6,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic acid
InChIKey RXVCHKFNBPFYCC-VAYJURFESA-N
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