(6S)-6-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-2-Cyano-5-Oxo-6,7-Dihydro-1H,5H-Pyrazolo[1,2-A]Pyrazole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H13N7O5S
IUPAC Name (2s,8r)-2-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-6-cyano-3-oxo-2,7-dihydro-1h-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
Molecular Mass 391.362 g·mol−1
Heat of Formation -154.5 ± 16.7 kJ·mol−1
Dipole Moment 0.68 ± 1.08 D
Volume 420.29 Å 3
Surface Area 338.36 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 1.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-6-cyano-3-oxo-2,7-dihydro-1h-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
  • (2s)-2-[[(2z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-6-cyano-3-oxo-2,7-dihydro-1h-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
  • (2s)-2-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-6-cyano-3-keto-2,7-dihydro-1h-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
  • (2s)-2-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-6-cyano-3-oxo-2,7-dihydro-1h-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
InChIKey WZGPMIRFTFJVLS-QCEOTJBJSA-N
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