Geometry & MOs

Info

ID:	382285
PubChem CID:	134973343
Reduced:	NO12C20H27 (1)
Stoich.:	AB12C20D27 (1)
Weight, g/mol:	505.17954
ΔH_f, kcal/mol:	-527.34
Dipole, Da:	4.93
IP(EA), eV:	-9.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC(=CC1OC(=O)C)C(=O)OC)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations