Geometry & MOs

Info

ID:

401886

PubChem CID:

135053206

Reduced:

NO6C28H31 (1)

Stoich.:

AB6C28D31 (1)

Weight, g/mol:

617.997798

ΔHf, kcal/mol:

-157.14

Dipole, Da:

2.9

IP(EA), eV:

 -7.86(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-dimethylazaniumylideneprop-1-enyl]sulfanylprop-2-enylidene]-dimethylazanium;diperchlorate

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=C(C(=CC(=C2)C=C)OC)C3=C(C=C4C(=C3OC)C=CC=C4OCOC)OC)C

DOS

IR

Vibrations