2-[(Carboxycarbonyl)Amino]-4,7-Dihydro-5H-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid

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Formula C10H9NO5S2
IUPAC Name 2-(oxaloamino)-5,7-dihydro-4h-thieno[2,3-c]thiopyran-3-carboxylic acid
Molecular Mass 287.312 g·mol−1
Heat of Formation -756.6 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 293.19 Å 3
Surface Area 269.18 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(carboxycarbonylamino)-5,7-dihydro-4h-thieno[5,4-c]thiopyran-3-carboxylic acid
  • 2-(oxaloamino)-5,7-dihydro-4h-thieno[5,4-c]thiopyran-3-carboxylic acid
  • 2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid
  • col
InChIKey ZPDVRWNOCOREGF-UHFFFAOYSA-N
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