Geometry & MOs

Info

ID:	190417
PubChem CID:	78001898
Reduced:	NF2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	520.03804
ΔH_f, kcal/mol:	-177.09
Dipole, Da:	2.63
IP(EA), eV:	-8.75(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,5-diacetyloxy-6-(acetyloxymethyl)-2-(4-bromo-2-fluorophenoxy)oxan-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1C(C(C(CN1C2=CC=CC=C2)O)O)C(F)F

DOS

IR

Vibrations