Et TS2 (12) - Natnicha Limpaitoon (Imperial College London, 2021)
TS2, b3lyp+GD3BJ/Def2-SVPP, SCRF=THF, ΔG = -1634.1805 ΔΔG = 4.71
Keywords: -1634.180491; InChI=1S/C15H21O.C11H16O.2C4H8O.Li/c1-2-3-4-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15;12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;2*1-2-4-5-3-1;/h11-14H,2,5-10H2,1H3;7-10H,1-6H2;2*1-4H2;/q-1;;;;+1/t11-,12+,13-,14-,15-;8-,9+,10-,11-;;;/m1..../s1; FSQSECKFPMIRCR-KASWOEAMSA-N