Geometry & MOs

Info

ID:	132833
PubChem CID:	51428796
Reduced:	O2S2N4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	353.108565
ΔH_f, kcal/mol:	13.22
Dipole, Da:	4.98
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2R)-2-hydroxy-3-quinolin-2-ylsulfanylpropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

COCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CS3

DOS

IR

Vibrations