Geometry & MOs

Info

ID:	66901
PubChem CID:	46505485
Reduced:	FSO3N5C29H38 (1)
Stoich.:	ABC3D5E29F38 (1)
Weight, g/mol:	569.247204
ΔH_f, kcal/mol:	-127.88
Dipole, Da:	6.92
IP(EA), eV:	-8.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[1-ethyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=C(C=C4)F)CC

DOS

IR

Vibrations