(2R)-2-{(1R)-2-Oxo-1-[(2-Thienylacetyl)Amino]Ethyl}-5,6-Dihydro-2H-1,3-Thiazine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C13H14N2O4S2
IUPAC Name (2r)-2-[(1r)-2-oxo-1-[[2-(2-thienyl)acetyl]amino]ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
Molecular Mass 326.391 g·mol−1
Heat of Formation -455.7 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 359.93 Å 3
Surface Area 324.09 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(1r)-2-keto-1-[[2-(2-thienyl)acetyl]amino]ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-2-[(1r)-2-oxo-1-(2-thiophen-2-ylethanoylamino)ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-2-[(1r)-2-oxo-1-[(2-thiophen-2-ylacetyl)amino]ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-2-[(1r)-2-oxo-1-[[1-oxo-2-(2-thienyl)ethyl]amino]ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-2-[(1r)-2-oxo-1-[[2-(2-thienyl)acetyl]amino]ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
  • ncf
InChIKey QIZKCGBBVPUBJL-ZYHUDNBSSA-N
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