Geometry & MOs

Info

ID:	373420
PubChem CID:	131315003
Reduced:	OSN2H6C11 (1)
Stoich.:	ABC2D6E11 (1)
Weight, g/mol:	241.98715
ΔH_f, kcal/mol:	58.35
Dipole, Da:	4.77
IP(EA), eV:	-9.09(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-7-methylsulfanyl-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C=C2C#N)O)CC#N

DOS

IR

Vibrations