Geometry & MOs

Info

ID:	289126
PubChem CID:	104337082
Reduced:	ClSN2O3C11H15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	294.059362
ΔH_f, kcal/mol:	-104.05
Dipole, Da:	3.17
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(ethoxymethyl)-6-(2-methylphenyl)sulfanylpyrimidine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)SCC(=O)OCC

DOS

IR

Vibrations