Geometry & MOs

Info

ID:	59772
PubChem CID:	24896544
Reduced:	SF3N3O3C22H26 (1)
Stoich.:	AB3C3D3E22F26 (1)
Weight, g/mol:	1138.7479
ΔH_f, kcal/mol:	-234.99
Dipole, Da:	3.09
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3E,5E)-5-(3,3-dimethyl-6-phenyl-1-tetradecylindol-2-ylidene)penta-1,3-dienyl]-1-docosyl-3,3-dimethyl-6-phenylindol-1-ium;iodide

Drug info:

PubChemData

Smile

CCCCCOC1(CSC(N1C(F)(F)F)N(C2=CC=CC=C2)C(=O)OC)C3=CC=NC=C3

DOS

IR

Vibrations