Geometry & MOs

Info

ID:	17342
PubChem CID:	493588
Reduced:	NO9C11H17 (1)
Stoich.:	AB9C11D17 (1)
Weight, g/mol:	307.090331
ΔH_f, kcal/mol:	-396.97
Dipole, Da:	8.74
IP(EA), eV:	-9.29(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-3-acetamido-4,6-dihydroxy-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2,5-dihydropyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C[C@](O[C@H]1[C@H]([C@@H](CO)O)O)(C(=O)O)O)O

DOS

IR

Vibrations