Geometry & MOs

Info

ID:

300869

PubChem CID:

123055258

Reduced:

NCl2O6H23C27 (1)

Stoich.:

AB2C6D23E27 (1)

Weight, g/mol:

527.155572

ΔHf, kcal/mol:

-166.86

Dipole, Da:

12.25

IP(EA), eV:

 -8.64(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)OC)O)/O

DOS

IR

Vibrations