Geometry & MOs

Info

ID:	374000
PubChem CID:	131322183
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	5.25
IP(EA), eV:	-8.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methoxy-6-methyl-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1SC=C2OC)CC(=O)O

DOS

IR

Vibrations