Geometry & MOs

Info

ID:	268002
PubChem CID:	103594910
Reduced:	OS2N4C11H20 (1)
Stoich.:	AB2C4D11E20 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	23.4
Dipole, Da:	0.88
IP(EA), eV:	-8.41(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCSCC1C2=NOC(=N2)[C@H](CCSC)N

DOS

IR

Vibrations