Geometry & MOs

Info

ID:	21974
PubChem CID:	594480
Reduced:	SCl2N3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	308.989424
ΔH_f, kcal/mol:	73.76
Dipole, Da:	4.65
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dichlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N=C(N2)SCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations