Geometry & MOs

Info

ID:

301062

PubChem CID:

123059686

Reduced:

N2O7C31H32 (1)

Stoich.:

A2B7C31D32 (1)

Weight, g/mol:

543.262088

ΔHf, kcal/mol:

-206.1

Dipole, Da:

9.07

IP(EA), eV:

 -8.49(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC=CC(=C4)NC(=O)C)OC

DOS

IR

Vibrations