Geometry & MOs

Info

ID:	373473
PubChem CID:	131315775
Reduced:	ClSF2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	395.83166
ΔH_f, kcal/mol:	-152.22
Dipole, Da:	3.83
IP(EA), eV:	-9.46(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-7-iodo-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C(=CS2)C(F)F)C(=O)O)Cl

DOS

IR

Vibrations