(2R,4R)-2-[(1S)-2-Ethoxy-2-Oxo-1-Phenylethyl]-1,3-Thiazolidin-3-Ium-4-Carboxylate

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Properties Simple | Detailed

Formula C14H17NO4S
IUPAC Name (2r,4r)-2-[(1s)-2-ethoxy-2-oxo-1-phenyl-ethyl]thiazolidine-4-carboxylic acid
Molecular Mass 295.354 g·mol−1
Heat of Formation -626.2 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 343.77 Å 3
Surface Area 296.75 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4r)-2-[(1s)-2-ethoxy-2-keto-1-phenyl-ethyl]thiazolidin-3-ium-4-carboxylate
  • (2r,4r)-2-[(1s)-2-ethoxy-2-oxo-1-phenyl-ethyl]-1,3-thiazolidin-3-ium-4-carboxylate
  • (2r,4r)-2-[(1s)-2-ethoxy-2-oxo-1-phenyl-ethyl]thiazolidin-3-ium-4-carboxylate
  • (2r,4r)-2-[(1s)-2-ethoxy-2-oxo-1-phenylethyl]-4-thiazolidin-3-iumcarboxylate
InChIKey XDBMTQVSHNQIFU-QJPTWQEYSA-N
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