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CCCc1ccccc1C(=O)c1ccccc1

Predicted BDE: 111.3 kcal/mol

Similar DFT-Calculated Bonds

O=C(OO)c1ccccc1

BDE(DFT): 111.7 kcal/mol
Distance: 0.01

NOC(=O)c1ccccc1

BDE(DFT): 111.5 kcal/mol
Distance: 0.01

COC(=O)c1ccccc1

BDE(DFT): 111.4 kcal/mol
Distance: 0.01

C[S@](=N)(=O)c1ccccc1

BDE(DFT): 111.4 kcal/mol
Distance: 0.01

CSC(=O)c1ccccc1

BDE(DFT): 111.5 kcal/mol
Distance: 0.01