(6R,7S)-7-{[(Carbamoylamino)(2-Thienyl)Acetyl]Amino}-7-Methoxy-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H20N8O6S3
IUPAC Name (6r,7s)-7-methoxy-3-[(1-methyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl)sulfanylmethyl]-8-oxo-7-[[(2s)-2-(2-thienyl)-2-ureido-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 540.596 g·mol−1
Heat of Formation -362.3 ± 16.7 kJ·mol−1
Dipole Moment 9.33 ± 1.08 D
Volume 583.29 Å 3
Surface Area 474.04 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey HPNPXNUAIRGSKT-TZOQJCELSA-N
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