Geometry & MOs

Info

ID:	146920
PubChem CID:	53772361
Reduced:	ClSN2O4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	549.420875
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	6.87
IP(EA), eV:	-9.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-hexyl-2-[7-(1-hexyl-3,3-dimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethylindole

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CN=CC=C3)C(=O)O

DOS

IR

Vibrations