Geometry & MOs

Info

ID:	300658
PubChem CID:	123050652
Reduced:	NO6H27C29 (1)
Stoich.:	AB6C27D29 (1)
Weight, g/mol:	499.199488
ΔH_f, kcal/mol:	-164.16
Dipole, Da:	6.89
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3Z)-3-[hydroxy-(4-methylphenyl)methylidene]-1-[4-(2-methylpropoxy)phenyl]-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=C(C=C4)OC(=O)C

DOS

IR

Vibrations