Geometry & MOs

Info

ID:	66904
PubChem CID:	46505488
Reduced:	FSO4N5C28H34 (1)
Stoich.:	ABC4D5E28F34 (1)
Weight, g/mol:	541.252289
ΔH_f, kcal/mol:	-157.84
Dipole, Da:	0.41
IP(EA), eV:	-8.4(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations