Geometry & MOs

Info

ID:	372793
PubChem CID:	131304875
Reduced:	OSF4H4C9 (1)
Stoich.:	ABC4D4E9 (1)
Weight, g/mol:	238.012222
ΔH_f, kcal/mol:	-211.03
Dipole, Da:	3.87
IP(EA), eV:	-9.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-4-methylsulfanyl-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1F)C=C(S2)O)C(F)(F)F

DOS

IR

Vibrations