Geometry & MOs

Info

ID:	6878
PubChem CID:	70375
Reduced:	NS2O3C10H21 (1)
Stoich.:	AB2C3D10E21 (1)
Weight, g/mol:	267.096286
ΔH_f, kcal/mol:	-148.29
Dipole, Da:	2.36
IP(EA), eV:	-9.19(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-sulfosulfanylethylamino)cyclooctane

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NCCSS(=O)(=O)O

DOS

IR

Vibrations