Geometry & MOs

Info

ID:	373408
PubChem CID:	131314763
Reduced:	ISO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	331.9368
ΔH_f, kcal/mol:	-40.88
Dipole, Da:	4.66
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C2C=CSC2=C1CC(=O)O)I

DOS

IR

Vibrations