Geometry & MOs

Info

ID:	278570
PubChem CID:	103836547
Reduced:	BrNSO4C13H20 (1)
Stoich.:	ABCD4E13F20 (1)
Weight, g/mol:	305.085242
ΔH_f, kcal/mol:	-157.84
Dipole, Da:	5.11
IP(EA), eV:	-9.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations