Geometry & MOs

Info

ID:	375106
PubChem CID:	131466011
Reduced:	ISO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	333.91606
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	3.32
IP(EA), eV:	-9.14(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=C(C=C1I)O)CC(=O)O

DOS

IR

Vibrations