Geometry & MOs

Info

ID:	318147
PubChem CID:	126649082
Reduced:	NSH3F4O4C10 (1)
Stoich.:	ABC3D4E4F10 (1)
Weight, g/mol:	421.091722
ΔH_f, kcal/mol:	-265.79
Dipole, Da:	3.49
IP(EA), eV:	-9.78(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1OC(=C2)F)OS(=O)(=O)C(F)(F)F)C#N

DOS

IR

Vibrations