Geometry & MOs

Info

ID:	162562
PubChem CID:	57395083
Reduced:	SO2Cl3N4C23H27 (1)
Stoich.:	AB2C3D4E23F27 (1)
Weight, g/mol:	458.154325
ΔH_f, kcal/mol:	-62.86
Dipole, Da:	1.4
IP(EA), eV:	-8.79(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCNS(=O)(=O)C2=CN=C3C=CC(=CC3=C2)Cl)C4=CC(=CC=C4)Cl.Cl

DOS

IR

Vibrations