Geometry & MOs

Info

ID:

128509

PubChem CID:

51047686

Reduced:

ClO3N4H23C25 (1)

Stoich.:

AB3C4D23E25 (1)

Weight, g/mol:

450.215472

ΔHf, kcal/mol:

-38.65

Dipole, Da:

5.62

IP(EA), eV:

 -8.68(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1(CC2=C(C(N3C(=N2)C(=CN3)C(=O)NC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)O)C(=O)C1)C

DOS

IR

Vibrations