Geometry & MOs

Info

ID:	66905
PubChem CID:	46505491
Reduced:	FSO3N5C28H36 (1)
Stoich.:	ABC3D5E28F36 (1)
Weight, g/mol:	511.241725
ΔH_f, kcal/mol:	-107.28
Dipole, Da:	4.26
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)OCC)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations