Geometry & MOs

Info

ID:	382110
PubChem CID:	134973050
Reduced:	N3O10C17H29 (1)
Stoich.:	A3B10C17D29 (1)
Weight, g/mol:	489.159473
ΔH_f, kcal/mol:	-367.77
Dipole, Da:	7.08
IP(EA), eV:	-10.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R,5R)-4-acetyloxy-5-azido-2-methoxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(C[C@H]([C@H](C(O1)C2C(COC(O2)C)OCOC)N=[N+]=[N-])OCOC)O

DOS

IR

Vibrations