Geometry & MOs

Info

ID:	398895
PubChem CID:	135036120
Reduced:	O9H26C28 (1)
Stoich.:	A9B26C28 (1)
Weight, g/mol:	506.157682
ΔH_f, kcal/mol:	-303.57
Dipole, Da:	3.59
IP(EA), eV:	-9.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-4,5-dibenzoyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CO[C@H]1C(C([C@H](C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O

DOS

IR

Vibrations