Geometry & MOs

Info

ID:

301102

PubChem CID:

123059867

Reduced:

ClNO6H28C29 (1)

Stoich.:

ABC6D28E29 (1)

Weight, g/mol:

547.10095

ΔHf, kcal/mol:

-183.27

Dipole, Da:

7.81

IP(EA), eV:

 -8.73(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)N2C(/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)O)Cl

DOS

IR

Vibrations