Geometry & MOs

Info

ID:

300630

PubChem CID:

123046495

Reduced:

NO7C30H31 (1)

Stoich.:

AB7C30D31 (1)

Weight, g/mol:

519.152931

ΔHf, kcal/mol:

-194.58

Dipole, Da:

5.93

IP(EA), eV:

 -8.52(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(3-hydroxy-4-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)OC)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)O

DOS

IR

Vibrations