Geometry & MOs

Info

ID:	280616
PubChem CID:	103850222
Reduced:	SF3N3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	206.08777
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	4.77
IP(EA), eV:	-9.38(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylbutylsulfanyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)NCCSC(F)(F)F)C#N

DOS

IR

Vibrations