Geometry & MOs

Info

ID:	329370
PubChem CID:	126735558
Reduced:	FSN3C26H32 (1)
Stoich.:	ABC3D26E32 (1)
Weight, g/mol:	603.268139
ΔH_f, kcal/mol:	13.82
Dipole, Da:	4.1
IP(EA), eV:	-8.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[4-[benzyl(ethyl)amino]phenyl]-(4-methylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-[(3-sulfophenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)/C(=C/C)/NC(C2=CC=CC=C2F)C(C)(C)S)C3=CC(NN=C3)C

DOS

IR

Vibrations