Geometry & MOs

Info

ID:	278162
PubChem CID:	103833796
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	339.04627
ΔH_f, kcal/mol:	-125.37
Dipole, Da:	5.81
IP(EA), eV:	-10.0(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations