Geometry & MOs

Info

ID:	90048
PubChem CID:	49965934
Reduced:	ClOSN3H14C19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	397.065176
ΔH_f, kcal/mol:	72.58
Dipole, Da:	7.99
IP(EA), eV:	-9.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CN=C(C=C3)Cl

DOS

IR

Vibrations