Geometry & MOs

Info

ID:

221724

PubChem CID:

85286078

Reduced:

N3O5C37H47 (1)

Stoich.:

A3B5C37D47 (1)

Weight, g/mol:

613.108304

ΔHf, kcal/mol:

-200.63

Dipole, Da:

3.49

IP(EA), eV:

 -8.8(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations