Geometry & MOs

Info

ID:	301154
PubChem CID:	123060445
Reduced:	ClNO6H30C31 (1)
Stoich.:	ABC6D30E31 (1)
Weight, g/mol:	527.230788
ΔH_f, kcal/mol:	-175.94
Dipole, Da:	4.81
IP(EA), eV:	-9.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4E)-4-[hydroxy-(3-propoxyphenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC(=CC=C1)N2C(/C(=C(/C3=CC(=CC=C3)OCCC)\O)/C(=O)C2=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations