Geometry & MOs

Info

ID:	205113
PubChem CID:	80057788
Reduced:	FSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	200.030729
ΔH_f, kcal/mol:	-139.86
Dipole, Da:	4.05
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCCCCSC1=CC=CC(=C1)F

DOS

IR

Vibrations