Geometry & MOs

Info

ID:	22626
PubChem CID:	598022
Reduced:	O13C29H32 (1)
Stoich.:	A13B29C32 (1)
Weight, g/mol:	588.184291
ΔH_f, kcal/mol:	-510.82
Dipole, Da:	3.77
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-methoxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C(C=C2)OC)C(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations