Geometry & MOs

Info

ID:	300653
PubChem CID:	123050636
Reduced:	NO7H25C29 (1)
Stoich.:	AB7C25D29 (1)
Weight, g/mol:	475.118651
ΔH_f, kcal/mol:	-204.83
Dipole, Da:	7.22
IP(EA), eV:	-8.98(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)N2C(/C(=C(/C3=CC=C(C=C3)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)OC(=O)C

DOS

IR

Vibrations