Geometry & MOs

Info

ID:	227511
PubChem CID:	87561893
Reduced:	ClLiSO3H11C20 (1)
Stoich.:	ABCD3E11F20 (1)
Weight, g/mol:	298.089997
ΔH_f, kcal/mol:	-90.17
Dipole, Da:	5.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.019744
Charge, e:	0

Chem-info

IUPAC name:

2-oxobutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

Drug info:

PubChemData

Smile

[Li].C1=CC2=C3C(=C1)C4=CC=CC5=CC(=C(C(=C54)C3=CC=C2)S(=O)(=O)O)Cl

DOS

IR

Vibrations