Geometry & MOs

Info

ID:	278330
PubChem CID:	103834880
Reduced:	NS2O5C13H21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	318.050813
ΔH_f, kcal/mol:	-180.78
Dipole, Da:	4.9
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NCCSCCCO)OC

DOS

IR

Vibrations