Geometry & MOs

Info

ID:	325265
PubChem CID:	126682379
Reduced:	NO2F3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	366.03142
ΔH_f, kcal/mol:	-188.97
Dipole, Da:	5.5
IP(EA), eV:	-10.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-bromo-2-ethyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@]1([C@H]([C@H](OC(=O)N1)C(=C)F)F)C2=CC=CC=C2F

DOS

IR

Vibrations