Geometry & MOs

Info

ID:	66321
PubChem CID:	46504294
Reduced:	ClSO3N5C26H32 (1)
Stoich.:	ABC3D5E26F32 (1)
Weight, g/mol:	517.171452
ΔH_f, kcal/mol:	-67.83
Dipole, Da:	1.84
IP(EA), eV:	-8.44(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations