Geometry & MOs

Info

ID:	133037
PubChem CID:	51465970
Reduced:	BrSO2N5C20H20 (1)
Stoich.:	ABC2D5E20F20 (1)
Weight, g/mol:	356.143273
ΔH_f, kcal/mol:	36.76
Dipole, Da:	7.34
IP(EA), eV:	-9.0(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-5-[(4,6,8-trimethylquinolin-1-ium-2-yl)amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=NN2[C@@H](CC(=NC2=N1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)C

DOS

IR

Vibrations