Geometry & MOs

Info

ID:	373424
PubChem CID:	131315037
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	6.05
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxy-4-methyl-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=CC(=C2)OC)CC(=O)O

DOS

IR

Vibrations