Geometry & MOs

Info

ID:	27279
PubChem CID:	820202
Reduced:	BrClNOH3C5 (1)
Stoich.:	ABCDE3F5 (1)
Weight, g/mol:	254.967626
ΔH_f, kcal/mol:	14.99
Dipole, Da:	3.41
IP(EA), eV:	-9.55(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(4-chlorophenyl)sulfanylpyridine

Drug info:

PubChemData

Smile

C1=CC(=[N+](C=C1Cl)[O-])Br

DOS

IR

Vibrations