1a

1b

6a

6b

AE- active ester

EHOMO

−0.21868

−0.21749

−0.23256

−0.23145

−0.21414

ELUMO

−0.06676

−0.06226

−0.11373

−0.11158

−0.06424

ΔEL−H

0.15192

0.15523

0.11883

0.11987

0.1505