(2S,5R,6S)-6-Bromo-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 4-Oxide

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Formula C8H10BrNO4S
IUPAC Name (2s,4s,5r,6s)-6-bromo-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 296.138 g·mol−1
Heat of Formation -546.0 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 264.62 Å 3
Surface Area 232.01 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey LNXWCZHUJOCCBY-KRZHBETKSA-N
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Elements C H O N S Br