Geometry & MOs

Info

ID:	278310
PubChem CID:	103834770
Reduced:	BrNS2O3C11H16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	283.091201
ΔH_f, kcal/mol:	-102.2
Dipole, Da:	4.28
IP(EA), eV:	-8.83(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(oxolan-2-yl)methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations