Geometry & MOs

Info

ID:	139045
PubChem CID:	52464246
Reduced:	ClSN2O6H17C21 (1)
Stoich.:	ABC2D6E17F21 (1)
Weight, g/mol:	308.96008
ΔH_f, kcal/mol:	-97.54
Dipole, Da:	10.48
IP(EA), eV:	-9.58(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-fluorophenoxy)-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations