3-(4-Oxo-4,5-Dihydro-1,2,5-Thiadiazol-3-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C5H7N3O3S
IUPAC Name (2s)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
Molecular Mass 189.192 g·mol−1
Heat of Formation -366.9 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 199.61 Å 3
Surface Area 194.78 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(4-keto-1,2,5-thiadiazol-3-yl)propionic acid
  • (2s)-2-amino-3-(4-oxo-1,2,5-thiadiazol-3-yl)propanoic acid
InChIKey SEVVPWOEIHLQGH-REOHCLBHSA-N
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