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

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Formula C10H9NO6S
IUPAC Name 2-(oxaloamino)-5,7-dihydro-4h-thieno[2,3-c]pyran-3-carboxylic acid
Molecular Mass 271.247 g·mol−1
Heat of Formation -918.8 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 275.88 Å 3
Surface Area 258.64 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(carboxycarbonylamino)-5,7-dihydro-4h-thieno[5,4-c]pyran-3-carboxylic acid
  • 2-(oxaloamino)-5,7-dihydro-4h-thieno[5,4-c]pyran-3-carboxylic acid
  • 2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid
InChIKey SNNOZMNTPOIDSI-UHFFFAOYSA-N
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