Geometry & MOs

Info

ID:	399348
PubChem CID:	135039792
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	282.058697
ΔH_f, kcal/mol:	-1.12
Dipole, Da:	3.6
IP(EA), eV:	-9.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-3-[(1R,2R,3R,4R)-1,2,3,4,5-pentahydroxypentyl]butanedioic acid

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)CC[C@@H](C2=O)CCN=[N+]=[N-]

DOS

IR

Vibrations