Geometry & MOs

Info

ID:

300862

PubChem CID:

123055241

Reduced:

NF2O7H25C29 (1)

Stoich.:

AB2C7D25E29 (1)

Weight, g/mol:

543.150487

ΔHf, kcal/mol:

-285.3

Dipole, Da:

11.32

IP(EA), eV:

 -8.89(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=C(C=CC(=C3)F)F)C4=CC(=C(C=C4)OC)OC(=O)C)/O

DOS

IR

Vibrations