Geometry & MOs

Info

ID:	399019
PubChem CID:	135037081
Reduced:	O7C12H17 (1)
Stoich.:	A7B12C17 (1)
Weight, g/mol:	274.105253
ΔH_f, kcal/mol:	-278.32
Dipole, Da:	4.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759916
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3-acetyloxy-5-(hydroxymethyl)-4-methyl-6-oxooxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C(=O)O[C@@H]([C@H]1OC(=O)C)COC(=O)C)C[O-]

DOS

IR

Vibrations