Geometry & MOs

Info

ID:	227512
PubChem CID:	87561894
Reduced:	C5O5H9 (2)
Stoich.:	A5B5C9 (2)
Weight, g/mol:	280.079432
ΔH_f, kcal/mol:	-444.35
Dipole, Da:	1.27
IP(EA), eV:	-10.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-oxobutanoyloxy)hexanoic acid

Drug info:

PubChemData

Smile

CCC(=O)C(=O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O

DOS

IR

Vibrations