Geometry & MOs

Info

ID:	289128
PubChem CID:	104337164
Reduced:	ClSN2O2C10H15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	322.090662
ΔH_f, kcal/mol:	-64.08
Dipole, Da:	2.47
IP(EA), eV:	-9.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[(3,5-dimethylphenyl)methylsulfanyl]-2-(ethoxymethyl)pyrimidine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)SCCCO

DOS

IR

Vibrations