Geometry & MOs

Info

ID:	278587
PubChem CID:	103836608
Reduced:	NSBr2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	316.109293
ΔH_f, kcal/mol:	-114.85
Dipole, Da:	3.93
IP(EA), eV:	-9.01(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations