Geometry & MOs

Info

ID:	89839
PubChem CID:	49964967
Reduced:	FSN3H12C18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	414.010888
ΔH_f, kcal/mol:	75.24
Dipole, Da:	1.79
IP(EA), eV:	-9.12(-1.44)
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-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N)F

DOS

IR

Vibrations