Geometry & MOs

Info

ID:	278165
PubChem CID:	103833829
Reduced:	NSBr2O3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	316.109293
ΔH_f, kcal/mol:	-109.46
Dipole, Da:	4.86
IP(EA), eV:	-9.99(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations