Geometry & MOs

Info

ID:	278502
PubChem CID:	103836319
Reduced:	FN2O2S2C14H17 (1)
Stoich.:	AB2C2D2E14F17 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-81.59
Dipole, Da:	4.51
IP(EA), eV:	-8.67(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-ethyl-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCSC1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2C#N)F

DOS

IR

Vibrations