Geometry & MOs

Info

ID:

301039

PubChem CID:

123059517

Reduced:

ClNO4H28C32 (1)

Stoich.:

ABC4D28E32 (1)

Weight, g/mol:

545.181393

ΔHf, kcal/mol:

-70.57

Dipole, Da:

8.45

IP(EA), eV:

 -9.04(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-naphthalen-1-yl-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=CC5=CC=CC=C54

DOS

IR

Vibrations