Geometry & MOs

Info

ID:	228661
PubChem CID:	87565498
Reduced:	O3C6H13 (2)
Stoich.:	A3B6C13 (2)
Weight, g/mol:	282.095082
ΔH_f, kcal/mol:	-306.1
Dipole, Da:	4.21
IP(EA), eV:	-10.22(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7S,8R,9R)-3,6,7,8,9,10-hexahydroxy-5-oxodecanoic acid

Drug info:

PubChemData

Smile

CCCCOCC(=O)O.CC(CO)OCC(C)O

DOS

IR

Vibrations