Geometry & MOs

Info

ID:

300915

PubChem CID:

123055395

Reduced:

NO6C33H35 (1)

Stoich.:

AB6C33D35 (1)

Weight, g/mol:

509.181393

ΔHf, kcal/mol:

-186.6

Dipole, Da:

6.48

IP(EA), eV:

 -9.01(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations