Geometry & MOs

Info

ID:

300624

PubChem CID:

123046058

Reduced:

NO6C33H37 (1)

Stoich.:

AB6C33D37 (1)

Weight, g/mol:

513.251523

ΔHf, kcal/mol:

-173.82

Dipole, Da:

8.14

IP(EA), eV:

 -8.31(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=C(C=C(C=C3)C)C)C4=CC(=C(C=C4)OC)OCC(C)C)/O

DOS

IR

Vibrations