Geometry & MOs

Info

ID:

220676

PubChem CID:

85202569

Reduced:

F3N5O7H24C32 (1)

Stoich.:

A3B5C7D24E32 (1)

Weight, g/mol:

649.07522

ΔHf, kcal/mol:

-298.81

Dipole, Da:

3.95

IP(EA), eV:

 -9.0(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)OC(=O)C5=CC(=CC=C5)C(F)(F)F)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations