Geometry & MOs

Info

ID:	279702
PubChem CID:	103844745
Reduced:	BrNSO3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	209.108565
ΔH_f, kcal/mol:	-119.94
Dipole, Da:	3.7
IP(EA), eV:	-10.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations