Geometry & MOs

Info

ID:	66928
PubChem CID:	46505539
Reduced:	FSO3N5C26H32 (1)
Stoich.:	ABC3D5E26F32 (1)
Weight, g/mol:	615.287926
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	3.75
IP(EA), eV:	-8.4(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-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)F)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations