Geometry & MOs

Info

ID:	294879
PubChem CID:	117502110
Reduced:	SO6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	316.147473
ΔH_f, kcal/mol:	-246.82
Dipole, Da:	12.68
IP(EA), eV:	-9.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=C(C=CC(=C1S(=O)(=O)C)OC)OC)C(=O)O

DOS

IR

Vibrations