Geometry & MOs

Info

ID:	52859
PubChem CID:	14709094
Reduced:	SN3H9C12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	241.067369
ΔH_f, kcal/mol:	97.57
Dipole, Da:	3.22
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-5-pyridin-4-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=N1)C2=CC=NC=C2)C#N

DOS

IR

Vibrations