Geometry & MOs

Info

ID:

300847

PubChem CID:

123055193

Reduced:

NO8H27C30 (1)

Stoich.:

AB8C27D30 (1)

Weight, g/mol:

519.144865

ΔHf, kcal/mol:

-248.24

Dipole, Da:

11.55

IP(EA), eV:

 -9.02(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3E)-1-(3-chloro-2-methylphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-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=CC=C(C=C3)C(=O)OC)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations