Geometry & MOs

Info

ID:	382284
PubChem CID:	134973340
Reduced:	NO5C12H16 (2)
Stoich.:	AB5C12D16 (2)
Weight, g/mol:	473.153325
ΔH_f, kcal/mol:	-343.87
Dipole, Da:	7.79
IP(EA), eV:	-9.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3-acetamido-4-acetyloxy-2-[(1S,2R)-1,2,3-triacetyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1C([C@H]2C(COC(O2)C3=CC=CC=C3)O[C@]1([C@@H]([C@H]4COC5(O4)CCCCC5)O)[N+](=O)[O-])O

DOS

IR

Vibrations