Geometry & MOs

Info

ID:	278316
PubChem CID:	103834797
Reduced:	FN2S2O5C11H15 (1)
Stoich.:	AB2C2D5E11F15 (1)
Weight, g/mol:	323.041664
ΔH_f, kcal/mol:	-152.93
Dipole, Da:	3.31
IP(EA), eV:	-8.97(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])F)S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations