Geometry & MOs

Info

ID:	7591
PubChem CID:	73459
Reduced:	NNaS2C9H18 (1)
Stoich.:	ABC2D9E18 (1)
Weight, g/mol:	227.077836
ΔH_f, kcal/mol:	-52.54
Dipole, Da:	5.2
IP(EA), eV:	-7.99(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;N-(2-ethylhexyl)-1-sulfanylmethanimidothioate

Drug info:

PubChemData

Smile

CCCCC(CC)CN=C(S)[S-].[Na+]

DOS

IR

Vibrations