Geometry & MOs

Info

ID:	300849
PubChem CID:	123055202
Reduced:	ClNO6H24C28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	505.129215
ΔH_f, kcal/mol:	-171.47
Dipole, Da:	11.3
IP(EA), eV:	-8.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3E)-1-(3-chlorophenyl)-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(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations