Geometry & MOs

Info

ID:	272594
PubChem CID:	103749729
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	297.085721
ΔH_f, kcal/mol:	-8.37
Dipole, Da:	6.43
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methylbutylsulfanyl)ethylsulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CCC(C)CSCCOC1=CC=CC=C1C#N

DOS

IR

Vibrations