3-{3-[(2-Ammonio-2-Oxoethyl)(Ethyl)Methylammonio]-1-Propen-1-Yl}-7-({(5-Ammonio-1,2,4-Thiadiazol-3-Yl)[(Fluoromethoxy)Imino]Acetyl}Amino)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C20H26FN8O6S2+
IUPAC Name (6r,7r)-3-[(e)-3-[(r)-(2-amino-2-oxo-ethyl)-ethyl-methyl-ammonio]prop-1-enyl]-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 557.599 g·mol−1
Heat of Formation -370.3 ± 16.7 kJ·mol−1
Dipole Moment 22.36 ± 1.08 D
Volume 612.26 Å 3
Surface Area 506.93 Å 2
HOMO Energy -7.80 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey XAKKNLNAJBNLPC-HOGIVUBOSA-N
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