Geometry & MOs

Info

ID:	222864
PubChem CID:	85332796
Reduced:	FSO3N4H21C23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	566.25292
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	3.28
IP(EA), eV:	-9.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[4-[[2-phenyl-4-(1-phenylethylcarbamoyl)quinolin-3-yl]methyl]piperazin-1-yl]ethoxy]acetic acid

Drug info:

PubChemData

Smile

C1C(C1C(=O)NC2=CC=C(C=C2)C3=C(C=CC(=C3)F)S(=O)(=O)N)C4=CC(=CC=C4)C(=N)N

DOS

IR

Vibrations