Geometry & MOs

Info

ID:	300662
PubChem CID:	123050705
Reduced:	NO6H27C29 (1)
Stoich.:	AB6C27D29 (1)
Weight, g/mol:	475.118651
ΔH_f, kcal/mol:	-167.91
Dipole, Da:	9.22
IP(EA), eV:	-8.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3E)-1-(4-chloro-2-methylphenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1N2C(/C(=C(\C3=CC=C(C=C3)C)/O)/C(=O)C2=O)C4=CC(=CC=C4)OC(=O)C

DOS

IR

Vibrations