(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Hydroxyimino)Acetyl]Amino}-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C12H10ClN5O5S2
IUPAC Name (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 403.821 g·mol−1
Heat of Formation -358.4 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 407.66 Å 3
Surface Area 339.46 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey CUCQDDZYZNBQFE-PTXYKUOVSA-N
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