Geometry & MOs

Info

ID:

128517

PubChem CID:

51048028

Reduced:

NO5H27C29 (1)

Stoich.:

AB5C27D29 (1)

Weight, g/mol:

545.252586

ΔHf, kcal/mol:

-113.05

Dipole, Da:

9.71

IP(EA), eV:

 -8.97(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(3-ethoxy-4-propoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCC4=CC=CC=C4)C5=CC=C(C=C5)OC)/O

DOS

IR

Vibrations