3-[(Carbamoyloxy)Methyl]-7-{[2-Furyl(Methoxyimino)Acetyl]Amino}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-3-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H16N4O8S
IUPAC Name 3-(carbamoyloxymethyl)-7-[[(2z)-2-(2-furyl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Molecular Mass 424.385 g·mol−1
Heat of Formation -839.6 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 451.06 Å 3
Surface Area 394.02 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey AIEMBSSBMKFDGU-HPUGUEDKSA-N
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