Geometry & MOs

Info

ID:	6996
PubChem CID:	70930
Reduced:	NS2O3C9H21 (1)
Stoich.:	AB2C3D9E21 (1)
Weight, g/mol:	255.096286
ΔH_f, kcal/mol:	-153.82
Dipole, Da:	3.32
IP(EA), eV:	-9.25(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-sulfosulfanylethylamino)heptane

Drug info:

PubChemData

Smile

CCCCCCCNCCSS(=O)(=O)O

DOS

IR

Vibrations