Geometry & MOs

Info

ID:	172803
PubChem CID:	75555240
Reduced:	FOSN3H5C9 (2)
Stoich.:	ABCD3E5F9 (2)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	61.74
Dipole, Da:	1.05
IP(EA), eV:	-9.42(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NOC(=N2)CSC3=NC4C(=CN=N4)C(=O)N3C5=CC(=C(C=C5)F)F

DOS

IR

Vibrations