NCC(=O)O
Predicted BDE: 83.3 kcal/mol
Similar DFT-Calculated Bonds
NCC(=O)O
BDE(DFT): 83.2 kcal/molDistance: 0.00
C[S@@](=O)CC[C@H](N)C(=O)O
BDE(DFT): 83.3 kcal/molDistance: 0.49
N[C@H](CC[S@](=O)O)C(=O)O
BDE(DFT): 82.5 kcal/molDistance: 0.61
CSCC[C@@H](N)C(N)=O
BDE(DFT): 83.1 kcal/molDistance: 0.93
CCN1OC[C@H](N)C1=O
BDE(DFT): 83.7 kcal/molDistance: 0.94
N[C@H]1CC(=O)N(O)C1=O
BDE(DFT): 82.7 kcal/molDistance: 0.95
Cn1ncc(=O)c(Cl)c1Cl
BDE(DFT): 82.9 kcal/molDistance: 0.95
N[C@H]1CSCCNC1=O
BDE(DFT): 84.3 kcal/molDistance: 1.00
N[C@@H]1CSCCNC1=O
BDE(DFT): 84.3 kcal/molDistance: 1.00
NCC1=NCCCN1
BDE(DFT): 83.3 kcal/molDistance: 1.00