Geometry & MOs

Info

ID:	375470
PubChem CID:	131529845
Reduced:	ClF2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	230.986925
ΔH_f, kcal/mol:	-216.65
Dipole, Da:	2.0
IP(EA), eV:	-9.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=C(C(=C(C=C1O)F)Cl)F)C(=O)OC

DOS

IR

Vibrations