7-[(5-Amino-5-Carboxypentanoyl)Amino]-7-Methoxy-8-Oxo-3-[(Sulfosulfanyl)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H23N3O10S3
IUPAC Name (6r,7s)-7-[[(5r)-5-amino-5-carboxy-pentanoyl]amino]-7-methoxy-8-oxo-3-(sulfosulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 501.552 g·mol−1
Heat of Formation -1552.8 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 518.0 Å 3
Surface Area 428.25 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.93 ± eV
Point Group Symmetry C1
InChIKey GBKBBXIMFKWXGE-PVJOKMEKSA-N
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