Geometry & MOs

Info

ID:	6995
PubChem CID:	70926
Reduced:	NS2O3C6H15 (1)
Stoich.:	AB2C3D6E15 (1)
Weight, g/mol:	213.049336
ΔH_f, kcal/mol:	-139.31
Dipole, Da:	1.73
IP(EA), eV:	-9.26(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-sulfosulfanylethylamino)butane

Drug info:

PubChemData

Smile

CCCCNCCSS(=O)(=O)O

DOS

IR

Vibrations