Geometry & MOs

Info

ID:

300623

PubChem CID:

123045857

Reduced:

BrFNO4H21C26 (1)

Stoich.:

ABCD4E21F26 (1)

Weight, g/mol:

543.262088

ΔHf, kcal/mol:

-112.64

Dipole, Da:

9.19

IP(EA), eV:

 -9.07(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(2,4-dimethylphenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]-5-[4-methoxy-3-(2-methylpropoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC=C3)F)C4=CC=C(C=C4)Br)/O

DOS

IR

Vibrations