Geometry & MOs

Info

ID:	146152
PubChem CID:	53644866
Reduced:	PSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	632.407038
ΔH_f, kcal/mol:	-233.87
Dipole, Da:	4.11
IP(EA), eV:	-9.46(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethoxy]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCOP(=S)(OCCCC)OC1=CC=CC(=C1)C=O

DOS

IR

Vibrations