Geometry & MOs

Info

ID:	278332
PubChem CID:	103834902
Reduced:	NS2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	416.94709
ΔH_f, kcal/mol:	-87.0
Dipole, Da:	6.42
IP(EA), eV:	-8.9(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations