Geometry & MOs

Info

ID:

301093

PubChem CID:

123059831

Reduced:

NF3O5H26C29 (1)

Stoich.:

AB3C5D26E29 (1)

Weight, g/mol:

523.13978

ΔHf, kcal/mol:

-284.5

Dipole, Da:

7.66

IP(EA), eV:

 -9.05(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations