Geometry & MOs

Info

ID:	278308
PubChem CID:	103834763
Reduced:	NBr2S2O3C11H15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	300.060235
ΔH_f, kcal/mol:	-101.78
Dipole, Da:	5.66
IP(EA), eV:	-8.82(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)S(=O)(=O)NCCSCCCO)Br

DOS

IR

Vibrations