Geometry & MOs

Info

ID:

300688

PubChem CID:

123050834

Reduced:

ClNO5H28C29 (1)

Stoich.:

ABC5D28E29 (1)

Weight, g/mol:

510.251858

ΔHf, kcal/mol:

-125.03

Dipole, Da:

10.87

IP(EA), eV:

 -8.52(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-[3-(2-methylpropoxy)phenyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OCC(C)C)/O

DOS

IR

Vibrations