Geometry & MOs

Info

ID:	177003
PubChem CID:	76124156
Reduced:	ClO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	306.022311
ΔH_f, kcal/mol:	-171.53
Dipole, Da:	6.13
IP(EA), eV:	-10.65(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-carboxy-3-hydroxy-2-oxobutanoyl)oxy-4-oxopentanedioic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1O)OC=C(C2=O)C(=O)Cl

DOS

IR

Vibrations