1-[(Isopropoxycarbonyl)Oxy]Ethyl (6R,7R)-7-{[(2-Amino-1,3-Thiazol-4-Yl)(Methoxyimino)Acetyl]Amino}-3-(Methoxymethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C21H27N5O9S2
IUPAC Name [(1s)-1-isopropoxycarbonyloxyethyl] (6r,7s)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 557.597 g·mol−1
Heat of Formation -1050.4 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 635.08 Å 3
Surface Area 512.25 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey LTINZAODLRIQIX-ZFKKBBJLSA-N
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