Geometry & MOs

Info

ID:	446426
PubChem CID:	135274886
Reduced:	BrF2N2O2H17C18 (1)
Stoich.:	AB2C2D2E17F18 (1)
Weight, g/mol:	417.138344
ΔH_f, kcal/mol:	-110.1
Dipole, Da:	2.47
IP(EA), eV:	-8.83(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC1C2=NC=C(C=C2)NCC3=CC(=C(C=C3F)F)Br

DOS

IR

Vibrations