Geometry & MOs

Info

ID:	392403
PubChem CID:	135015450
Reduced:	O8C15H20 (2)
Stoich.:	A8B15C20 (2)
Weight, g/mol:	492.178418
ΔH_f, kcal/mol:	-693.5
Dipole, Da:	1.17
IP(EA), eV:	-9.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-3-benzoyloxy-5-hydroxy-2-methoxy-6-(phenylmethoxymethyl)oxan-4-yl] benzoate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C(O[C@@H](C(C1OC(=O)C)OC(=O)C)OC)CO[C@H]2C(C([C@@H](C(O2)COCC3=CC=CC=C3)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations