Geometry & MOs

Info

ID:	202852
PubChem CID:	79733830
Reduced:	ClFNSH9C12 (1)
Stoich.:	ABCDE9F12 (1)
Weight, g/mol:	229.982923
ΔH_f, kcal/mol:	1.28
Dipole, Da:	0.79
IP(EA), eV:	-8.79(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-fluoro-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=C(C=C(C=N2)Cl)F

DOS

IR

Vibrations