Geometry & MOs

Info

ID:	284670
PubChem CID:	104059860
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	307.067843
ΔH_f, kcal/mol:	-43.77
Dipole, Da:	1.53
IP(EA), eV:	-8.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-(3-propoxypyridin-2-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(N=CC=C1)N2CCOC(C2)C(=S)N

DOS

IR

Vibrations