Geometry & MOs

Info

ID:	202101
PubChem CID:	79628862
Reduced:	SF2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-171.83
Dipole, Da:	1.03
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-methylanilino)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CSC1=C(C=CC(=C1)F)F)C(=O)OC

DOS

IR

Vibrations