Geometry & MOs

Info

ID:	301172
PubChem CID:	123067439
Reduced:	ClNO4H28C29 (1)
Stoich.:	ABC4D28E29 (1)
Weight, g/mol:	505.129215
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	6.43
IP(EA), eV:	-8.61(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3E)-2-(4-chlorophenyl)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)OCC)\O)/C(=O)C2=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations