Geometry & MOs

Info

ID:	373646
PubChem CID:	131318221
Reduced:	FN2O3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	222.035065
ΔH_f, kcal/mol:	-113.26
Dipole, Da:	1.78
IP(EA), eV:	-10.43(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-6-methyl-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(NC(=O)O1)C2=C(C(=C(C=C2)F)C#N)O

DOS

IR

Vibrations