Geometry & MOs

Info

ID:

128518

PubChem CID:

51048047

Reduced:

N3O6C31H35 (1)

Stoich.:

A3B6C31D35 (1)

Weight, g/mol:

512.140593

ΔHf, kcal/mol:

-165.16

Dipole, Da:

6.1

IP(EA), eV:

 -8.58(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-phenylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC4=C(C=C3)OC(C4)C)/O)/C(=O)C(=O)N2CCCN5C=CN=C5)OCC

DOS

IR

Vibrations