Geometry & MOs

Info

ID:	382325
PubChem CID:	134973405
Reduced:	N4O8C19H30 (1)
Stoich.:	A4B8C19D30 (1)
Weight, g/mol:	323.121631
ΔH_f, kcal/mol:	-300.67
Dipole, Da:	3.08
IP(EA), eV:	-9.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]([C@@H]1[C@H](OC(O1)(C)C)[C@H]2COC(O2)(C)C)[C@H](CCC(=O)C(=O)OC)N=[N+]=[N-]

DOS

IR

Vibrations