Geometry & MOs

Info

ID:	85510
PubChem CID:	49876227
Reduced:	ClNOSH19C23 (1)
Stoich.:	ABCDE19F23 (1)
Weight, g/mol:	471.921041
ΔH_f, kcal/mol:	61.55
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765380
Charge, e:	-1

Chem-info

IUPAC name:

6-chloro-4-(2-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)quinoline;chloride

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(C=C3C4=CC=CC=C4)C5=CC(=CC=C5)O.[Cl-]

DOS

IR

Vibrations