Geometry & MOs

Info

ID:	278554
PubChem CID:	103836485
Reduced:	BrSN2O5C12H17 (1)
Stoich.:	ABC2D5E12F17 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-112.23
Dipole, Da:	5.43
IP(EA), eV:	-10.3(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNS(=O)(=O)C1=C(C=CC(=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations