Geometry & MOs

Info

ID:

300853

PubChem CID:

123055210

Reduced:

ClNO7H24C28 (1)

Stoich.:

ABC7D24E28 (1)

Weight, g/mol:

539.155572

ΔHf, kcal/mol:

-211.4

Dipole, Da:

12.02

IP(EA), eV:

 -8.83(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3E)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]phenyl] acetate

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)Cl)O)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations