(2R,2'Z,4R,4'R)-3-Methyl-2'-(6-Oxo-2,4-Cyclohexadien-1-Ylidene)-2,4'-Bi-1,3-Thiazolidine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H16N2O3S2
IUPAC Name (2r,3s,4r)-3-methyl-2-[(2z,4r)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)thiazolidin-4-yl]thiazolidine-4-carboxylic acid
Molecular Mass 324.418 g·mol−1
Heat of Formation -295.8 ± 16.7 kJ·mol−1
Dipole Moment 8.23 ± 1.08 D
Volume 354.17 Å 3
Surface Area 301.67 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4r)-2-[(2z,4r)-2-(6-keto-1-cyclohexa-2,4-dienylidene)thiazolidin-4-yl]-3-methyl-thiazolidine-4-carboxylic acid
  • (2r,4r)-2-[(4r)-2-(6-keto-1-cyclohexa-2,4-dienylidene)thiazolidin-4-yl]-3-methyl-thiazolidine-4-carboxylic acid
  • (2r,4r)-3-methyl-2-[(2z,4r)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidine-4-carboxylic acid
  • (2r,4r)-3-methyl-2-[(2z,4r)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-thiazolidinyl]-4-thiazolidinecarboxylic acid
  • (2r,4r)-3-methyl-2-[(2z,4r)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)thiazolidin-4-yl]thiazolidine-4-carboxylic acid
  • (2r,4r)-3-methyl-2-[(4r)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidine-4-carboxylic acid
  • (2r,4r)-3-methyl-2-[(4r)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-thiazolidinyl]-4-thiazolidinecarboxylic acid
  • (2r,4r)-3-methyl-2-[(4r)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)thiazolidin-4-yl]thiazolidine-4-carboxylic acid
InChIKey VRTHPBIMOLQLGL-POLPPNQQSA-N
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