Geometry & MOs

Info

ID:	300837
PubChem CID:	123055161
Reduced:	ClNO6H24C28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	528.189651
ΔH_f, kcal/mol:	-170.85
Dipole, Da:	8.28
IP(EA), eV:	-8.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3E)-1-(4-acetamidophenyl)-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)Cl)C4=CC=C(C=C4)OC(=O)C)/O

DOS

IR

Vibrations