Geometry & MOs

Info

ID:	375105
PubChem CID:	131465981
Reduced:	SN2O3C6H8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	333.91606
ΔH_f, kcal/mol:	-86.27
Dipole, Da:	3.87
IP(EA), eV:	-10.0(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-hydroxy-5-iodo-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=NS1)C(C(=O)OC)O

DOS

IR

Vibrations