Geometry & MOs

Info

ID:	21512
PubChem CID:	588752
Reduced:	ClFNSO2H7C9 (1)
Stoich.:	ABCDE2F7G9 (1)
Weight, g/mol:	246.987006
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	2.73
IP(EA), eV:	-9.98(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-6-fluorophenyl)methylsulfonyl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CS(=O)(=O)CC#N)F

DOS

IR

Vibrations