Geometry & MOs

Info

ID:	375473
PubChem CID:	131529850
Reduced:	ClFNO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	230.986925
ΔH_f, kcal/mol:	-126.08
Dipole, Da:	4.35
IP(EA), eV:	-9.46(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C(=O)OC)N)Cl)F

DOS

IR

Vibrations