Geometry & MOs

Info

ID:	342177
PubChem CID:	127264890
Reduced:	OSF3N3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	321.075882
ΔH_f, kcal/mol:	-183.12
Dipole, Da:	2.83
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[2-[4-(trifluoromethyl)pyridin-2-yl]ethyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)NCCC2=NC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations