Geometry & MOs

Info

ID:	193714
PubChem CID:	78428547
Reduced:	ON2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	320.093426
ΔH_f, kcal/mol:	15.75
Dipole, Da:	3.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.076669
Charge, e:	-1

Chem-info

IUPAC name:

4-[3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]butanoate

Drug info:

PubChemData

Smile

C1CC[NH+](C(C1)C2=CN=CC=C2)CC(=O)C3=CC=CC=C3

DOS

IR

Vibrations