Geometry & MOs

Info

ID:	166829
PubChem CID:	74740493
Reduced:	S2O4N5C17H18 (1)
Stoich.:	A2B4C5D17E18 (1)
Weight, g/mol:	409.260351
ΔH_f, kcal/mol:	-2.39
Dipole, Da:	35.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939104
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-(2,4-dimethylanilino)-2-oxoacetyl]amino]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC(=O)NC2=CC3=NC(=O)N=C3C=C2)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations