Geometry & MOs

Info

ID:	89842
PubChem CID:	49964980
Reduced:	SO2F3N3H16C17 (1)
Stoich.:	AB2C3D3E16F17 (1)
Weight, g/mol:	406.109962
ΔH_f, kcal/mol:	-207.88
Dipole, Da:	3.98
IP(EA), eV:	-8.94(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C2C3=C(C(=O)N4CCC[C@@H]4C(=O)N3)SC2=N1)C(F)(F)F)C

DOS

IR

Vibrations