Geometry & MOs

Info

ID:	390967
PubChem CID:	135001914
Reduced:	O2F3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	494.178812
ΔH_f, kcal/mol:	-234.72
Dipole, Da:	3.68
IP(EA), eV:	-10.28(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-triacetyloxy-6-[(E)-3-(2-methoxyphenyl)prop-2-enoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations