Geometry & MOs

Info

ID:	23018
PubChem CID:	600883
Reduced:	N2S2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	286.059841
ΔH_f, kcal/mol:	75.52
Dipole, Da:	5.21
IP(EA), eV:	-8.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-(phenylsulfanylmethylsulfanyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)SCSC2=CC=CC=C2)C

DOS

IR

Vibrations