Geometry & MOs

Info

ID:	396988
PubChem CID:	135029549
Reduced:	SO4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	337.11365
ΔH_f, kcal/mol:	-140.31
Dipole, Da:	3.89
IP(EA), eV:	-9.03(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

quinolin-8-yl (3S)-3-benzylsulfanylbutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC(=O)C[C@H](C)SCC2=CC=CC=C2

DOS

IR

Vibrations