Tautomers

Δ G 0 298 (Kcal/mol)

Δ G 0 298 (Kcal/mol)

AH

Deprotonated molecule A

Q-4-one (N1-H)

−299422.21

−299091.11

324.81

Q-4-one (O11-H)

−299415.34

−299091.11

317.94

DMQ (N1-H)

−443145.23

−442806.26

332.68

DMQ (O11-H)

−443144.01

−442806.26

331.46

DBrQ (N1-H)

−3529228.80

−3528905.10

317.41

DBrQ (O11-H)

−3529224.55

−3528905.11

313.15