Geometry & MOs

Info

ID:

219853

PubChem CID:

85164964

Reduced:

ION3S3C25H26 (1)

Stoich.:

ABC3D3E25F26 (1)

Weight, g/mol:

480.123801

ΔHf, kcal/mol:

49.88

Dipole, Da:

10.05

IP(EA), eV:

 -7.75(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

3-ethyl-5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-[(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one

Drug info:

PubChemData

Smile

CCN1CCSC1=CC=C2C(=O)[N+](=C(S2)C=C3N(C4=C(S3)C5=CC=CC=C5C=C4)C)CC.[I-]

DOS

IR

Vibrations