Geometry & MOs

Info

ID:	269758
PubChem CID:	103618952
Reduced:	ClSN2F3O3H8C10 (1)
Stoich.:	ABC2D3E3F8G10 (1)
Weight, g/mol:	283.999796
ΔH_f, kcal/mol:	-192.25
Dipole, Da:	5.18
IP(EA), eV:	-10.34(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NCCSC(F)(F)F)[N+](=O)[O-])Cl

DOS

IR

Vibrations