Geometry & MOs

Info

ID:	268005
PubChem CID:	103595116
Reduced:	ClSN3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	271.090997
ΔH_f, kcal/mol:	19.65
Dipole, Da:	1.97
IP(EA), eV:	-8.37(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-4-methylthiomorpholine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C2CSCCN2C)C

DOS

IR

Vibrations