Geometry & MOs

Info

ID:	186165
PubChem CID:	77398031
Reduced:	O6C29H44 (1)
Stoich.:	A6B29C44 (1)
Weight, g/mol:	653.23197
ΔH_f, kcal/mol:	-331.57
Dipole, Da:	3.13
IP(EA), eV:	-9.3(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-acetamidophenoxy)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)C1CCC2C1(CC=C3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C

DOS

IR

Vibrations