Geometry & MOs

Info

ID:	375471
PubChem CID:	131529846
Reduced:	ClSO2N3H6C7 (1)
Stoich.:	ABC2D3E6F7 (1)
Weight, g/mol:	230.986925
ΔH_f, kcal/mol:	-13.61
Dipole, Da:	4.85
IP(EA), eV:	-10.92(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2-methylsulfonylpyrimidin-4-yl)acetonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC(=NC(=C1)CC#N)Cl

DOS

IR

Vibrations