Geometry & MOs

Info

ID:	312053
PubChem CID:	126602165
Reduced:	SN3O6C15H24 (1)
Stoich.:	AB3C6D15E24 (1)
Weight, g/mol:	372.122932
ΔH_f, kcal/mol:	-163.23
Dipole, Da:	5.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.792865
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCOCCOCCOCCN=[N+]=N)S(=O)(=O)O

DOS

IR

Vibrations