Geometry & MOs

Info

ID:	374051
PubChem CID:	131323023
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	351.90664
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	8.91
IP(EA), eV:	-9.51(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-6-iodo-1-benzothiophen-4-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)C2=C(N=C(O2)C)C(=O)O

DOS

IR

Vibrations