Geometry & MOs

Info

ID:	414187
PubChem CID:	135087143
Reduced:	SO2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	295.139471
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	2.02
IP(EA), eV:	-8.97(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(3-phenylsulfanylhept-1-ynyl)pyridine

Drug info:

PubChemData

Smile

CCCCC(C#CC(=O)CCCO)SC1=CC=CC=C1

DOS

IR

Vibrations