Geometry & MOs

Info

ID:	51785
PubChem CID:	12014525
Reduced:	NOC2H3 (3)
Stoich.:	ABC2D3 (3)
Weight, g/mol:	415.122694
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	5.16
IP(EA), eV:	-10.15(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4S,5R)-2,3,4,5-tetraacetyloxy-6-azidocyclohexyl] acetate

Drug info:

PubChemData

Smile

C1=C[C@@H]([C@H]([C@@H]([C@H]1N=[N+]=[N-])O)O)O

DOS

IR

Vibrations