7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-3-[(Z)-2-(4-Methyl-1,3-Thiazol-5-Yl)Vinyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H18N6O5S3
IUPAC Name (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(e)-2-(4-methylthiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 506.578 g·mol−1
Heat of Formation 1750.9 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 541.33 Å 3
Surface Area 401.22 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -2.37 ± eV
Point Group Symmetry C1
InChIKey KMIPKYQIOVAHOP-UTXQDLRKSA-N
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