Geometry & MOs

Info

ID:	134419
PubChem CID:	51694005
Reduced:	O9C16H24 (1)
Stoich.:	A9B16C24 (1)
Weight, g/mol:	357.118557
ΔH_f, kcal/mol:	-424.62
Dipole, Da:	2.09
IP(EA), eV:	-11.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	-3

Chem-info

IUPAC name:

(2R,3S,4R)-4-(9-carboxylatononyl)-3-hydroxy-5-oxooxolane-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C(CCCC[C@@H]1C(=O)O[C@H]([C@@]1(C(=O)O)O)C(=O)O)CCCCC(=O)O

DOS

IR

Vibrations