Geometry & MOs

Info

ID:	219872
PubChem CID:	85164990
Reduced:	F3O11C29H29 (1)
Stoich.:	A3B11C29D29 (1)
Weight, g/mol:	610.190913
ΔH_f, kcal/mol:	-577.37
Dipole, Da:	9.62
IP(EA), eV:	-9.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-methoxy-3-[3,4,5-triacetyloxy-6-(fluoromethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C6=CC(=CC=C6)C(F)(F)F)(OC5)C(=O)OC)O)O)C)O

DOS

IR

Vibrations