Geometry & MOs

Info

ID:	82183
PubChem CID:	49855731
Reduced:	BrNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	257.101171
ΔH_f, kcal/mol:	-105.83
Dipole, Da:	6.13
IP(EA), eV:	-9.7(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S,6R)-5-acetyloxy-4-azido-6-methyloxan-2-yl] acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)N1C=CC=C(C1=O)Br

DOS

IR

Vibrations