Geometry & MOs

Info

ID:	10335
PubChem CID:	100579
Reduced:	NOSC5H9 (1)
Stoich.:	ABCD5E9 (1)
Weight, g/mol:	131.040485
ΔH_f, kcal/mol:	-10.49
Dipole, Da:	1.16
IP(EA), eV:	-8.6(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfinylbutanenitrile

Drug info:

PubChemData

Smile

CS(=O)CCCC#N

DOS

IR

Vibrations