Geometry & MOs

Info

ID:	300693
PubChem CID:	123050869
Reduced:	NO6C31H31 (1)
Stoich.:	AB6C31D31 (1)
Weight, g/mol:	499.199488
ΔH_f, kcal/mol:	-178.87
Dipole, Da:	6.89
IP(EA), eV:	-9.09(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-2-[3-(2-methylpropoxy)phenyl]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations