Geometry & MOs

Info

ID:	221822
PubChem CID:	85286178
Reduced:	NO8C13H17 (2)
Stoich.:	AB8C13D17 (2)
Weight, g/mol:	628.175183
ΔH_f, kcal/mol:	-724.04
Dipole, Da:	5.98
IP(EA), eV:	-10.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetamido-3-acetyloxy-4-hydroxy-2-(4-nitrophenoxy)-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)N2CCC(=O)N(C2=O)C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations