(6S,7S)-7-{[(2R)-2-Ammonio-2-(4-Hydroxyphenyl)Acetyl]Amino}-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C16H17N3O5S
IUPAC Name (6r,7s)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 363.388 g·mol−1
Heat of Formation -587.9 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 406.7 Å 3
Surface Area 355.71 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey BOEGTKLJZSQCCD-JRPNMDOOSA-N
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