Geometry & MOs

Info

ID:	161757
PubChem CID:	57392555
Reduced:	F2N2O3H10C16 (1)
Stoich.:	A2B2C3D10E16 (1)
Weight, g/mol:	475.220795
ΔH_f, kcal/mol:	-146.02
Dipole, Da:	4.22
IP(EA), eV:	-8.93(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(E)-2-(5,6-dibenzyl-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations