Geometry & MOs

Info

ID:

13804

PubChem CID:

398509

Reduced:

ON2S3H7C11 (2)

Stoich.:

AB2C3D7E11 (2)

Weight, g/mol:

557.944103

ΔHf, kcal/mol:

59.51

Dipole, Da:

0.63

IP(EA), eV:

 -8.56(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-thiophen-2-yl-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1C(=O)N(C(S1)C2=CC=CS2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=CS7

DOS

IR

Vibrations