Geometry & MOs

Info

ID:

301092

PubChem CID:

123059829

Reduced:

ClNO6H26C28 (1)

Stoich.:

ABC6D26E28 (1)

Weight, g/mol:

525.176307

ΔHf, kcal/mol:

-171.31

Dipole, Da:

9.17

IP(EA), eV:

 -8.79(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=C(C=CC(=C4)Cl)O

DOS

IR

Vibrations