Geometry & MOs

Info

ID:	7614
PubChem CID:	73494
Reduced:	NO7C8H13 (1)
Stoich.:	AB7C8D13 (1)
Weight, g/mol:	235.069202
ΔH_f, kcal/mol:	-305.09
Dipole, Da:	6.45
IP(EA), eV:	-10.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O

DOS

IR

Vibrations