Geometry & MOs

Info

ID:	224890
PubChem CID:	85612588
Reduced:	OSN4C7H8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	586.375069
ΔH_f, kcal/mol:	89.92
Dipole, Da:	6.56
IP(EA), eV:	-8.37(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=NC(=S)N)N(C=C1)O

DOS

IR

Vibrations