4-Oxo-4,5-Dihydro-1,2,5-Thiadiazole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C3H2N2O3S
IUPAC Name 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid
Molecular Mass 146.125 g·mol−1
Heat of Formation -305.5 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 138.64 Å 3
Surface Area 145.83 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -2.02 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-keto-1,2,5-thiadiazole-3-carboxylic acid
  • 4-oxo-1,2,5-thiadiazole-3-carboxylic acid
  • gbd
InChIKey FVZITYNLUYJDOE-UHFFFAOYSA-N
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