Geometry & MOs

Info

ID:	21607
PubChem CID:	589204
Reduced:	N2S2O4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	328.055149
ΔH_f, kcal/mol:	-112.9
Dipole, Da:	4.46
IP(EA), eV:	-8.95(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-sulfosulfanylethylamino)ethoxy]isoquinoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN=C2OCCNCCSS(=O)(=O)O

DOS

IR

Vibrations