Geometry & MOs

Info

ID:	372792
PubChem CID:	131304863
Reduced:	FN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	235.991899
ΔH_f, kcal/mol:	-111.67
Dipole, Da:	3.11
IP(EA), eV:	-9.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-6-(trifluoromethyl)-1-benzothiophen-2-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)NC(=O)[C@]2(CCO)N

DOS

IR

Vibrations