Geometry & MOs

Info

ID:	301153
PubChem CID:	123060444
Reduced:	ClNO6H30C31 (1)
Stoich.:	ABC6D30E31 (1)
Weight, g/mol:	547.176165
ΔH_f, kcal/mol:	-179.31
Dipole, Da:	5.91
IP(EA), eV:	-9.26(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(3-propoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations