Geometry & MOs

Info

ID:	278342
PubChem CID:	103834956
Reduced:	BrFNSO4C12H17 (1)
Stoich.:	ABCDE4F12G17 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-200.78
Dipole, Da:	5.45
IP(EA), eV:	-8.96(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(CCOC)(CNS(=O)(=O)C1=C(C=C(C=C1)F)Br)O

DOS

IR

Vibrations