Geometry & MOs

Info

ID:	90046
PubChem CID:	49965926
Reduced:	N2S2O3H14C17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	394.054277
ΔH_f, kcal/mol:	-27.96
Dipole, Da:	2.06
IP(EA), eV:	-8.85(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(2-methoxyphenyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N

DOS

IR

Vibrations