Geometry & MOs

Info

ID:	374134
PubChem CID:	131324130
Reduced:	NSO3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	-49.59
Dipole, Da:	3.48
IP(EA), eV:	-9.64(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxy-6-methyl-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)O)C2=CON=C2C

DOS

IR

Vibrations