Geometry & MOs

Info

ID:

301026

PubChem CID:

123059443

Reduced:

ClNO6H28C29 (1)

Stoich.:

ABC6D28E29 (1)

Weight, g/mol:

525.135443

ΔHf, kcal/mol:

-172.75

Dipole, Da:

7.67

IP(EA), eV:

 -8.76(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(4-fluorophenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations