Geometry & MOs

Info

ID:	269551
PubChem CID:	103617933
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	206.08777
ΔH_f, kcal/mol:	-0.05
Dipole, Da:	1.71
IP(EA), eV:	-9.28(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutylsulfanyl)pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)SC2=NC=CC(=C2)C#N

DOS

IR

Vibrations