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

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Properties Simple | Detailed

Formula C14H15N5O5S3
IUPAC Name (6s,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 429.494 g·mol−1
Heat of Formation -299.6 ± 16.7 kJ·mol−1
Dipole Moment 7.56 ± 1.08 D
Volume 455.04 Å 3
Surface Area 398.22 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey OITCOWCNESRWSM-HBNYPJHTSA-N
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