Geometry & MOs

Info

ID:	327706
PubChem CID:	126690814
Reduced:	SN2O2H22C26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	514.231694
ΔH_f, kcal/mol:	36.1
Dipole, Da:	7.08
IP(EA), eV:	-7.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-4-[[6-(2,6-dimethylphenyl)-3-methyl-1,3-benzothiazol-2-ylidene]methyl]-N-methylquinolin-1-ium-2-amine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=C(C=CC=C3OC)OC)SC1=CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations