Geometry & MOs

Info

ID:	85507
PubChem CID:	49876189
Reduced:	ClSN2O2C28H28 (1)
Stoich.:	ABC2D2E28F28 (1)
Weight, g/mol:	462.023065
ΔH_f, kcal/mol:	2.6
Dipole, Da:	4.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813282
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=NC(=C(C(=C23)C4=CC=C(C=C4)OC)C(=O)NC5=CC=CC=C5C)C.[Cl-]

DOS

IR

Vibrations