Geometry & MOs

Info

ID:	165515
PubChem CID:	74560342
Reduced:	FNO5H16C21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	411.087838
ΔH_f, kcal/mol:	-145.44
Dipole, Da:	5.56
IP(EA), eV:	-9.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-acetyl-2-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(=O)[O-])C3=CC(=CC=C3)F)[O-]

DOS

IR

Vibrations