Geometry & MOs

Info

ID:	12184
PubChem CID:	131945
Reduced:	O4C9H15 (2)
Stoich.:	A4B9C15 (2)
Weight, g/mol:	374.194068
ΔH_f, kcal/mol:	-309.08
Dipole, Da:	3.43
IP(EA), eV:	-10.8(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-2-dodecoxycarbonyl-4-hydroxy-5-oxooxolane-3-carboperoxoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)[C@@H]1[C@@H]([C@H](C(=O)O1)O)C(=O)OO

DOS

IR

Vibrations