Geometry & MOs

Info

ID:

301133

PubChem CID:

123059999

Reduced:

ClN2O4H27C32 (1)

Stoich.:

AB2C4D27E32 (1)

Weight, g/mol:

504.1452

ΔHf, kcal/mol:

-51.25

Dipole, Da:

12.08

IP(EA), eV:

 -8.08(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)NC4=CC=CC=C4)C5=CC=C(C=C5)Cl)/O

DOS

IR

Vibrations