Geometry & MOs

Info

ID:	228599
PubChem CID:	87565387
Reduced:	NSO4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	326.121297
ΔH_f, kcal/mol:	-136.43
Dipole, Da:	4.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759154
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxypropane-1,2,3-tricarboxylic acid;2-(2-hydroxyethoxy)ethanol

Drug info:

PubChemData

Smile

CCC[N+]1(CCCC(=O)C1)OS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations