Geometry & MOs

Info

ID:	56490
PubChem CID:	17435896
Reduced:	SF2O2N3H13C19 (1)
Stoich.:	AB2C2D3E13F19 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	2.86
IP(EA), eV:	-9.22(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NC=CN4C(F)F

DOS

IR

Vibrations