Geometry & MOs

Info

ID:	278334
PubChem CID:	103834911
Reduced:	NS2F3O3C12H16 (1)
Stoich.:	AB2C3D3E12F16 (1)
Weight, g/mol:	310.021262
ΔH_f, kcal/mol:	-266.24
Dipole, Da:	3.09
IP(EA), eV:	-8.93(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations