Geometry & MOs

Info

ID:

300631

PubChem CID:

123046496

Reduced:

NO9H25C28 (1)

Stoich.:

AB9C25D28 (1)

Weight, g/mol:

505.190066

ΔHf, kcal/mol:

-243.47

Dipole, Da:

6.42

IP(EA), eV:

 -8.19(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-[3-(2-methylpropoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC4=C(C=C3)OCCO4)C5=CC(=C(C=C5)OC)O)/O

DOS

IR

Vibrations