Geometry & MOs

Info

ID:

300589

PubChem CID:

123044328

Reduced:

ClN2O8H19C25 (1)

Stoich.:

AB2C8D19E25 (1)

Weight, g/mol:

511.160657

ΔHf, kcal/mol:

-167.58

Dipole, Da:

7.56

IP(EA), eV:

 -8.98(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-ethylphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=C(C=CC(=C3)Cl)O)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations