(4R)-7,7-Dimethyl-6-Oxo-1,2,5-Dithiazocane-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C8H13NO3S2
IUPAC Name (4r)-7,7-dimethyl-6-oxo-1,2,5-dithiazocane-4-carboxylic acid
Molecular Mass 235.324 g·mol−1
Heat of Formation -594.0 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 261.98 Å 3
Surface Area 227.4 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-(r)-hexahydro-7,7-dimethyl-6-oxo-1,2,5-dithiazocine-4-carboxylic acid
  • (4r)-6-keto-7,7-dimethyl-1,2,5-dithiazocane-4-carboxylic acid
  • limazocic
  • sa 3443
  • sa-3443
CAS Number(s)
  • 128620-82-6
InChIKey PTARWFJHCZHOGS-YFKPBYRVSA-N
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