Geometry & MOs

Info

ID:

301032

PubChem CID:

123059486

Reduced:

NCl2O5H25C28 (1)

Stoich.:

AB2C5D25E28 (1)

Weight, g/mol:

545.121685

ΔHf, kcal/mol:

-141.17

Dipole, Da:

7.06

IP(EA), eV:

 -9.1(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-chloro-4-hydroxyphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(/C(=C(/C3=CC(=CC=C3)OCC(C)C)\O)/C(=O)C2=O)C4=CC(=C(C=C4)O)Cl

DOS

IR

Vibrations