Geometry & MOs

Info

ID:	374211
PubChem CID:	131325508
Reduced:	BrClN2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	348.89058
ΔH_f, kcal/mol:	-4.49
Dipole, Da:	1.03
IP(EA), eV:	-9.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-6-nitro-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C1=CN=C(C=C1Cl)Br)N

DOS

IR

Vibrations