Geometry & MOs

Info

ID:

300619

PubChem CID:

123045391

Reduced:

NO7C31H31 (1)

Stoich.:

AB7C31D31 (1)

Weight, g/mol:

519.181251

ΔHf, kcal/mol:

-212.89

Dipole, Da:

7.8

IP(EA), eV:

 -8.7(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)N2C(/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)OC(=O)C

DOS

IR

Vibrations