Geometry & MOs

Info

ID:	278309
PubChem CID:	103834769
Reduced:	N2S2O3C12H16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	352.9755
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	3.26
IP(EA), eV:	-8.93(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations