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

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Properties Simple | Detailed

Formula C17H15N3O6S
IUPAC Name (6r,7s)-3-methyl-8-oxo-7-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 389.383 g·mol−1
Heat of Formation -675.0 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 419.9 Å 3
Surface Area 361.98 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey RRJMJOCOTPUQTQ-SWLSCSKDSA-N
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