(6R)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H7NO3S
IUPAC Name (6r)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 185.200 g·mol−1
Heat of Formation -336.9 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 196.25 Å 3
Surface Area 187.78 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey IKWLIQXIPRUIDU-ZCFIWIBFSA-N
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