Geometry & MOs

Info

ID:	14520
PubChem CID:	413552
Reduced:	SO7C13H18 (1)
Stoich.:	AB7C13D18 (1)
Weight, g/mol:	318.077324
ΔH_f, kcal/mol:	-289.48
Dipole, Da:	3.17
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-hydroxy-3-(2-methylphenoxy)propoxy]-3-oxopropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(COC(=O)CCS(=O)(=O)O)O

DOS

IR

Vibrations