Geometry & MOs

Info

ID:

301103

PubChem CID:

123059868

Reduced:

ClNF3O6H21C27 (1)

Stoich.:

ABC3D6E21F27 (1)

Weight, g/mol:

523.13978

ΔHf, kcal/mol:

-328.26

Dipole, Da:

13.35

IP(EA), eV:

 -9.11(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-chloro-4-hydroxyphenyl)-1-(3,5-dimethoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC(=CC=C3)OC(F)(F)F)C4=CC(=C(C=C4)O)Cl)/O

DOS

IR

Vibrations