Geometry & MOs

Info

ID:	374775
PubChem CID:	131342715
Reduced:	FSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	-147.11
Dipole, Da:	1.52
IP(EA), eV:	-8.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-4-methoxy-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)C=CC(=C2)F)O

DOS

IR

Vibrations