Geometry & MOs

Info

ID:	278604
PubChem CID:	103836634
Reduced:	NS2O5C12H19 (1)
Stoich.:	AB2C5D12E19 (1)
Weight, g/mol:	349.03473
ΔH_f, kcal/mol:	-196.19
Dipole, Da:	5.53
IP(EA), eV:	-9.74(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations