Geometry & MOs

Info

ID:	199822
PubChem CID:	79302198
Reduced:	BrClSN3C11H13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	460.87913
ΔH_f, kcal/mol:	42.21
Dipole, Da:	4.52
IP(EA), eV:	-8.92(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(1-chloroethyl)-3-(4-iodophenyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1CCSC)N=CC(=C2)Br)Cl

DOS

IR

Vibrations