Geometry & MOs

Info

ID:

301116

PubChem CID:

123059933

Reduced:

BrNO4H24C30 (1)

Stoich.:

ABC4D24E30 (1)

Weight, g/mol:

531.165743

ΔHf, kcal/mol:

-49.31

Dipole, Da:

10.71

IP(EA), eV:

 -8.93(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC(=CC=C3)Br)C4=CC=CC5=CC=CC=C54)/O

DOS

IR

Vibrations