Geometry & MOs

Info

ID:	165901
PubChem CID:	74610983
Reduced:	FSN3O3C21H24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	419.113747
ΔH_f, kcal/mol:	-134.83
Dipole, Da:	3.03
IP(EA), eV:	-8.75(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)CC2CC(=O)NC(N2)SCC3=CC=CC=C3F

DOS

IR

Vibrations