(5R)-2,5,6,7-Tetrahydro-1,4-Thiazepine-3,5-Dicarboxylic Acid

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Properties Simple | Detailed

Formula C7H9NO4S
IUPAC Name (5r)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
Molecular Mass 203.216 g·mol−1
Heat of Formation -648.7 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 221.49 Å 3
Surface Area 209.38 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-thiazepine-3,5-dicarboxylic acid, 2,5,6,7-tetrahydro-, (r)-
  • cystathionine ketimine
CAS Number(s)
  • 87254-95-3
InChIKey XJUQJVUYGRTQGI-SCSAIBSYSA-N
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