Geometry & MOs

Info

ID:	21528
PubChem CID:	588849
Reduced:	ClFSN3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	293.018974
ΔH_f, kcal/mol:	33.63
Dipole, Da:	4.36
IP(EA), eV:	-8.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations