Geometry & MOs

Info

ID:	292748
PubChem CID:	117357968
Reduced:	SO4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	242.077679
ΔH_f, kcal/mol:	-163.83
Dipole, Da:	6.85
IP(EA), eV:	-10.33(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-2-methylsulfanylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(C)C(=O)O

DOS

IR

Vibrations