Geometry & MOs

Info

ID:

301080

PubChem CID:

123059774

Reduced:

NO6C33H37 (1)

Stoich.:

AB6C33D37 (1)

Weight, g/mol:

543.262088

ΔHf, kcal/mol:

-186.42

Dipole, Da:

5.81

IP(EA), eV:

 -8.69(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=C(C=CC(=C4)C)C)OCC

DOS

IR

Vibrations