Geometry & MOs

Info

ID:	8899
PubChem CID:	83356
Reduced:	S2N3O3C12H15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	313.055484
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	2.59
IP(EA), eV:	-8.4(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-1H-indole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCN=C(CSS(=O)(=O)O)N

DOS

IR

Vibrations