Geometry & MOs

Info

ID:	327704
PubChem CID:	126690799
Reduced:	FON2C24H31 (1)
Stoich.:	ABC2D24E31 (1)
Weight, g/mol:	427.148024
ΔH_f, kcal/mol:	-53.25
Dipole, Da:	3.55
IP(EA), eV:	-8.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(2,6-dimethoxyphenyl)-3-methyl-2-(quinolin-1-ium-4-ylmethylidene)-1,3-benzothiazole

Drug info:

PubChemData

Smile

C[C@@]12CCCN([C@@H]([C@H]1NCCC3=CC=C(C=C3)F)CC4=C2C=C(C=C4)OC)C

DOS

IR

Vibrations