Geometry & MOs

Info

ID:

300833

PubChem CID:

123055155

Reduced:

NO8H29C31 (1)

Stoich.:

AB8C29D31 (1)

Weight, g/mol:

539.155572

ΔHf, kcal/mol:

-253.14

Dipole, Da:

9.69

IP(EA), eV:

 -8.94(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations