Geometry & MOs

Info

ID:	66320
PubChem CID:	46504272
Reduced:	SO4N5C28H39 (1)
Stoich.:	AB4C5D28E39 (1)
Weight, g/mol:	529.191439
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	9.47
IP(EA), eV:	-8.31(-0.55)
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-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)CC)CC4=CC=CO4

DOS

IR

Vibrations