Geometry & MOs

Info

ID:	129262
PubChem CID:	51072091
Reduced:	Cl2N2S3C18H20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	566.217917
ΔH_f, kcal/mol:	60.73
Dipole, Da:	5.47
IP(EA), eV:	-8.06(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane;sulfamic acid

Drug info:

PubChemData

Smile

CSC1=C(C(=C(S1)SC)C[N+]2=CC=CC=C2)C[N+]3=CC=CC=C3.[Cl-].[Cl-]

DOS

IR

Vibrations