7-{[Amino(4-Hydroxyphenyl)Acetyl]Amino}-8-Oxo-3-[(1Z)-1-Propen-1-Yl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H19N3O5S
IUPAC Name (6r,7s)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(e)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 389.426 g·mol−1
Heat of Formation -549.3 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 444.47 Å 3
Surface Area 384.27 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey WDLWHQDACQUCJR-VTHQOVDZSA-N
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