Geometry & MOs

Info

ID:	381412
PubChem CID:	134972137
Reduced:	O4H26C29 (1)
Stoich.:	A4B26C29 (1)
Weight, g/mol:	650.205814
ΔH_f, kcal/mol:	-98.69
Dipole, Da:	3.88
IP(EA), eV:	-8.53(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-triacetyloxy-6-[2-acetyloxy-2-[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations