Geometry & MOs

Info

ID:	279700
PubChem CID:	103844736
Reduced:	BrNS2O3C12H20 (1)
Stoich.:	ABC2D3E12F20 (1)
Weight, g/mol:	428.94319
ΔH_f, kcal/mol:	-113.7
Dipole, Da:	7.03
IP(EA), eV:	-9.49(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dibromo-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)C1=CC(=C(S1)Br)C)CO

DOS

IR

Vibrations