Geometry & MOs

Info

ID:

128511

PubChem CID:

51047971

Reduced:

NO5H29C30 (1)

Stoich.:

AB5C29D30 (1)

Weight, g/mol:

527.230788

ΔHf, kcal/mol:

-126.83

Dipole, Da:

8.63

IP(EA), eV:

 -9.09(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-benzyl-5-(4-butoxy-3-methoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2/C(=C(\C3=CC4=C(C=C3)OC(C4)C)/O)/C(=O)C(=O)N2CC5=CC=CC=C5

DOS

IR

Vibrations