Geometry & MOs

Info

ID:	343719
PubChem CID:	127266895
Reduced:	FSN3O3C16H16 (1)
Stoich.:	ABC3D3E16F16 (1)
Weight, g/mol:	326.054813
ΔH_f, kcal/mol:	-76.34
Dipole, Da:	6.32
IP(EA), eV:	-9.79(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(dimethylsulfamoyl)-2-(trifluoromethyl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(CC#N)N(C)S(=O)(=O)C1=C(N=CC=C1)OC2=CC=C(C=C2)F

DOS

IR

Vibrations