Geometry & MOs

Info

ID:	268982
PubChem CID:	103603905
Reduced:	ClSN3O5H6C10 (1)
Stoich.:	ABC3D5E6F10 (1)
Weight, g/mol:	269.943969
ΔH_f, kcal/mol:	-33.62
Dipole, Da:	3.61
IP(EA), eV:	-10.33(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trichloro-2-(2-methylsulfanylethoxy)benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)OCC2=C(SN=N2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations