Geometry & MOs

Info

ID:	66893
PubChem CID:	46505472
Reduced:	ClSO4N5C28H36 (1)
Stoich.:	ABC4D5E28F36 (1)
Weight, g/mol:	543.207089
ΔH_f, kcal/mol:	-110.61
Dipole, Da:	6.11
IP(EA), eV:	-8.4(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCN(CC3)C)C4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations