(5-Methyl-2-Oxo-1,3-Dioxol-4-Yl)Methyl (6R,7R)-7-{[(2R)-2-(D-Alanyloxy)-2-Phenylacetyl]Amino}-3-{[(5-Methyl-1,3,4-Thiadiazol-2-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C27H27N5O9S3
IUPAC Name (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6r,7r)-7-[[(2r)-2-[(2r)-2-aminopropanoyl]oxy-2-phenyl-acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 661.726 g·mol−1
Heat of Formation -963.0 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 718.96 Å 3
Surface Area 543.82 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey AMMYEZPDRKXESR-CEJYENBDSA-N
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