Geometry & MOs

Info

ID:	66879
PubChem CID:	46505440
Reduced:	SF2O3N4H20C21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	545.226075
ΔH_f, kcal/mol:	-162.84
Dipole, Da:	2.74
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(C(=O)N(C1=S)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations