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

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Properties Simple | Detailed

Formula C17H19N5O6S2
IUPAC Name (6s,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-[(2s)-tetrahydrofuran-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 453.493 g·mol−1
Heat of Formation -512.7 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 485.59 Å 3
Surface Area 406.99 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey ZJGQFXVQDVCVOK-JFCABCKWSA-N
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