Geometry & MOs

Info

ID:	202099
PubChem CID:	79628591
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	246.052607
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	2.92
IP(EA), eV:	-8.45(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-difluorophenyl)sulfanyl-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CN)COC1=CC=CC=C1C2=CC=CC=C2

DOS

IR

Vibrations