Geometry & MOs

Info

ID:	373635
PubChem CID:	131318100
Reduced:	ISO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	347.93171
ΔH_f, kcal/mol:	-72.29
Dipole, Da:	3.61
IP(EA), eV:	-8.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=CS2)CC(=O)O)I

DOS

IR

Vibrations