Geometry & MOs

Info

ID:	52861
PubChem CID:	14709097
Reduced:	SN3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	257.062283
ΔH_f, kcal/mol:	79.18
Dipole, Da:	4.49
IP(EA), eV:	-9.01(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=NC(=C(C=C1C#N)C2=CC=NC=C2)C

DOS

IR

Vibrations