Geometry & MOs

Info

ID:	382112
PubChem CID:	134973054
Reduced:	NO9C16H27 (1)
Stoich.:	AB9C16D27 (1)
Weight, g/mol:	307.126717
ΔH_f, kcal/mol:	-418.31
Dipole, Da:	4.54
IP(EA), eV:	-9.82(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-5-acetamido-2-hydroxy-4-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](C[C@](OC1[C@@H]([C@H]2COC(O2)(C)C)O)(C(=O)OC)OC)O

DOS

IR

Vibrations