Geometry & MOs

Info

ID:	66754
PubChem CID:	46505206
Reduced:	S2N6O7C21H24 (1)
Stoich.:	A2B6C7D21E24 (1)
Weight, g/mol:	472.06655
ΔH_f, kcal/mol:	-139.7
Dipole, Da:	10.29
IP(EA), eV:	-8.93(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)S(=O)(=O)N4CCN(CC4)C

DOS

IR

Vibrations