Geometry & MOs

Info

ID:

300866

PubChem CID:

123055250

Reduced:

NO6C31H33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

547.220617

ΔHf, kcal/mol:

-174.35

Dipole, Da:

8.64

IP(EA), eV:

 -8.43(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(3,4-diethoxyphenyl)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=C(C=C4)OC)O)/O

DOS

IR

Vibrations