Geometry & MOs

Info

ID:	6887
PubChem CID:	70392
Reduced:	NS2O3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	275.064986
ΔH_f, kcal/mol:	-109.39
Dipole, Da:	3.23
IP(EA), eV:	-9.24(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-sulfosulfanylethylamino)propylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCNCCSS(=O)(=O)O

DOS

IR

Vibrations