Geometry & MOs

Info

ID:

301097

PubChem CID:

123059837

Reduced:

ClNO8H24C28 (1)

Stoich.:

ABC8D24E28 (1)

Weight, g/mol:

511.119793

ΔHf, kcal/mol:

-223.21

Dipole, Da:

8.68

IP(EA), eV:

 -8.35(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(3-fluorophenyl)-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=CC4=C(C=C3)OCO4)C5=CC(=C(C(=C5)Cl)O)OC)/O

DOS

IR

Vibrations