Geometry & MOs

Info

ID:	373552
PubChem CID:	131316962
Reduced:	BrFNOH9C10 (1)
Stoich.:	ABCDE9F10 (1)
Weight, g/mol:	395.83166
ΔH_f, kcal/mol:	-41.17
Dipole, Da:	4.71
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-2-iodo-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C#N)C1=C(C(=CC(=C1)F)OC)Br

DOS

IR

Vibrations