Geometry & MOs

Info

ID:	66336
PubChem CID:	46504355
Reduced:	SO4N5C29H37 (1)
Stoich.:	AB4C5D29E37 (1)
Weight, g/mol:	571.238389
ΔH_f, kcal/mol:	-117.62
Dipole, Da:	2.87
IP(EA), eV:	-8.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations