Geometry & MOs

Info

ID:

300890

PubChem CID:

123055317

Reduced:

NF2O5H29C30 (1)

Stoich.:

AB2C5D29E30 (1)

Weight, g/mol:

537.171829

ΔHf, kcal/mol:

-224.23

Dipole, Da:

6.82

IP(EA), eV:

 -9.07(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations