Geometry & MOs

Info

ID:	125754
PubChem CID:	50936904
Reduced:	BrO2H7C12 (1)
Stoich.:	AB2C7D12 (1)
Weight, g/mol:	370.99284
ΔH_f, kcal/mol:	68.84
Dipole, Da:	2.35
IP(EA), eV:	-9.8(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R,6S)-5-acetyloxy-3-azido-2-bromo-6-(difluoromethyl)oxan-4-yl] acetate

Drug info:

PubChemData

Smile

C#CC(=O)OC(C#CBr)C1=CC=CC=C1

DOS

IR

Vibrations