Geometry & MOs

Info

ID:

300880

PubChem CID:

123055297

Reduced:

NO6C33H37 (1)

Stoich.:

AB6C33D37 (1)

Weight, g/mol:

543.262088

ΔHf, kcal/mol:

-186.22

Dipole, Da:

8.47

IP(EA), eV:

 -8.38(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)OCC(C)C

DOS

IR

Vibrations