Geometry & MOs

Info

ID:	66870
PubChem CID:	46505417
Reduced:	SO4N5C27H35 (1)
Stoich.:	AB4C5D27E35 (1)
Weight, g/mol:	513.220989
ΔH_f, kcal/mol:	-99.9
Dipole, Da:	4.69
IP(EA), eV:	-8.41(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCN3CCN(CC3)C)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations