(7R)-3-(Acetoxymethyl)-7-{[Fluoro(2-Thienyl)Acetyl]Amino}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H15FN2O6S2
IUPAC Name (6r,7r)-3-(acetoxymethyl)-7-[[(2s)-2-fluoro-2-(2-thienyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 414.429 g·mol−1
Heat of Formation -940.5 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 438.07 Å 3
Surface Area 367.45 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey SYQKPJZGUFYKJG-UEKVPHQBSA-N
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