Geometry & MOs

Info

ID:	69070
PubChem CID:	46517470
Reduced:	BrFN2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	388.086862
ΔH_f, kcal/mol:	-93.4
Dipole, Da:	1.78
IP(EA), eV:	-9.19(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(C2=C(C=C(C=C2)F)NC1=O)C(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations