(6R,7R)-7-{[Amino(1-Benzothiophen-3-Yl)Acetyl]Amino}-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H17N3O4S2
IUPAC Name (6r,7s)-7-[[(2r)-2-amino-2-(benzothiophen-3-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 403.475 g·mol−1
Heat of Formation -340.1 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 440.6 Å 3
Surface Area 380.44 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
InChIKey UZIXWKQHCIOPLV-IIYDPXPESA-N
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