Geometry & MOs

Info

ID:

193418

PubChem CID:

78391730

Reduced:

FON3H16C20 (1)

Stoich.:

ABC3D16E20 (1)

Weight, g/mol:

566.04854

ΔHf, kcal/mol:

23.39

Dipole, Da:

8.12

IP(EA), eV:

 -8.53(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-(1,3-benzothiazol-2-yl)-3-chloro-2-oxo-6-[2-(6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]-1,7,8-triazaspiro[3.4]octan-8-yl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2C(NC(=C3C=CC(=O)C=C3)N2)C4=CC=C(C=C4)F

DOS

IR

Vibrations