Geometry & MOs

Info

ID:	66927
PubChem CID:	46505536
Reduced:	SO4N5C27H35 (1)
Stoich.:	AB4C5D27E35 (1)
Weight, g/mol:	513.220989
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	2.9
IP(EA), eV:	-8.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)OC)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations