Geometry & MOs

Info

ID:	66333
PubChem CID:	46504349
Reduced:	SO4N5C29H39 (1)
Stoich.:	AB4C5D29E39 (1)
Weight, g/mol:	557.222739
ΔH_f, kcal/mol:	-111.06
Dipole, Da:	2.76
IP(EA), eV:	-8.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations