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

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Properties Simple | Detailed

Formula C16H18N7O5S4
IUPAC Name (6r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 516.618 g·mol−1
Heat of Formation -37.5 ± 16.7 kJ·mol−1
Dipole Moment 10.04 ± 1.08 D
Volume 532.72 Å 3
Surface Area 469.59 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey CXHKZHZLDMQGFF-KWZOAUKBSA-N
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