(7R)-7-{[(2R)-2-Hydroxy-2-Phenylacetyl]Amino}-8-Oxo-3-({[1-(Sulfomethyl)-1H-Tetrazol-5-Yl]Sulfanyl}Methyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H18N6O8S3
IUPAC Name (6r,7r)-7-[[(2s)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 542.566 g·mol−1
Heat of Formation -790.3 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 554.29 Å 3
Surface Area 439.97 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
InChIKey DYAIAHUQIPBDIP-PVXIVEMSSA-N
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