Geometry & MOs

Info

ID:	10233
PubChem CID:	99140
Reduced:	S2N3O3C13H17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	327.071134
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	2.5
IP(EA), eV:	-8.39(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations