Geometry & MOs

Info

ID:	279701
PubChem CID:	103844742
Reduced:	NSBr2O3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	349.03473
ΔH_f, kcal/mol:	-116.96
Dipole, Da:	4.28
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)C1=C(C=CC(=C1)Br)Br)CO

DOS

IR

Vibrations