Geometry & MOs

Info

ID:	166234
PubChem CID:	74653716
Reduced:	S2N4O6C21H24 (1)
Stoich.:	A2B4C6D21E24 (1)
Weight, g/mol:	467.211687
ΔH_f, kcal/mol:	-150.66
Dipole, Da:	8.89
IP(EA), eV:	-8.47(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3

DOS

IR

Vibrations