Geometry & MOs

Info

ID:	66871
PubChem CID:	46505419
Reduced:	FSO3N5C26H32 (1)
Stoich.:	ABC3D5E26F32 (1)
Weight, g/mol:	529.191439
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	4.07
IP(EA), eV:	-8.3(-0.79)
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-ethoxyphenyl)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)F

DOS

IR

Vibrations