Geometry & MOs

Info

ID:	279721
PubChem CID:	103844814
Reduced:	BrClNSO3C13H19 (1)
Stoich.:	ABCDE3F13G19 (1)
Weight, g/mol:	285.139865
ΔH_f, kcal/mol:	-124.14
Dipole, Da:	3.89
IP(EA), eV:	-10.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-1-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations