Geometry & MOs

Info

ID:	173495
PubChem CID:	75644877
Reduced:	O4N5H19C21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	284.099477
ΔH_f, kcal/mol:	27.02
Dipole, Da:	10.78
IP(EA), eV:	-8.96(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-6-hydroxy-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NN=C3C2C(C(=C(O3)N)C#N)C4=CC=NC=C4

DOS

IR

Vibrations