Geometry & MOs

Info

ID:	66989
PubChem CID:	46505650
Reduced:	SCl2O2N5C24H27 (1)
Stoich.:	AB2C2D5E24F27 (1)
Weight, g/mol:	496.230826
ΔH_f, kcal/mol:	-29.02
Dipole, Da:	1.7
IP(EA), eV:	-8.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations