Geometry & MOs

Info

ID:	373423
PubChem CID:	131315035
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	-96.69
Dipole, Da:	3.19
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC2=C1C=C(C(=C2)OC)CC(=O)O

DOS

IR

Vibrations