Geometry & MOs

Info

ID:	134418
PubChem CID:	51693775
Reduced:	O3C12H19 (2)
Stoich.:	A3B12C19 (2)
Weight, g/mol:	360.142032
ΔH_f, kcal/mol:	-303.6
Dipole, Da:	1.55
IP(EA), eV:	-9.57(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-4-(9-carboxynonyl)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]([C@@]2([C@@H]([C@@]1(C)CC/C(=C\CO)/CO)CCC=C2COC(=O)C)C)OC(=O)C

DOS

IR

Vibrations