Geometry & MOs

Info

ID:	279704
PubChem CID:	103844750
Reduced:	BrNSO3C14H22 (1)
Stoich.:	ABCD3E14F22 (1)
Weight, g/mol:	301.101765
ΔH_f, kcal/mol:	-129.63
Dipole, Da:	4.07
IP(EA), eV:	-9.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylsulfonylethanesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations