Geometry & MOs

Info

ID:	292734
PubChem CID:	117357514
Reduced:	FSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	242.111836
ΔH_f, kcal/mol:	-139.48
Dipole, Da:	2.49
IP(EA), eV:	-8.76(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC(=C(C=C1)F)SC

DOS

IR

Vibrations