Geometry & MOs

Info

ID:	374570
PubChem CID:	131331634
Reduced:	BrON3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	331.90041
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	3.85
IP(EA), eV:	-9.2(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-formyl-5-iodo-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(NC(=O)N1)C2=CC=C(N2)Br

DOS

IR

Vibrations