Geometry & MOs

Info

ID:	382278
PubChem CID:	134973334
Reduced:	NO10C29H43 (1)
Stoich.:	AB10C29D43 (1)
Weight, g/mol:	325.100896
ΔH_f, kcal/mol:	-432.58
Dipole, Da:	4.16
IP(EA), eV:	-9.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations