Geometry & MOs

Info

ID:	278556
PubChem CID:	103836488
Reduced:	BrNSO4C13H20 (1)
Stoich.:	ABCD4E13F20 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-155.23
Dipole, Da:	6.37
IP(EA), eV:	-9.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNS(=O)(=O)C1=CC(=C(C=C1)OC)Br

DOS

IR

Vibrations