Geometry & MOs

Info

ID:	90047
PubChem CID:	49965933
Reduced:	ClSN2O2H15C21 (1)
Stoich.:	ABC2D2E15F21 (1)
Weight, g/mol:	367.054611
ΔH_f, kcal/mol:	32.05
Dipole, Da:	9.21
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloropyridin-3-yl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC(=C(C=C2)C#N)SCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations