Geometry & MOs

Info

ID:	382233
PubChem CID:	134973244
Reduced:	N2O10C15H26 (1)
Stoich.:	A2B10C15D26 (1)
Weight, g/mol:	338.096145
ΔH_f, kcal/mol:	-401.44
Dipole, Da:	2.91
IP(EA), eV:	-10.28(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-5-acetamido-2-hydroxy-4-nitro-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](CO)O)O)(C(=O)OC(C)(C)C)O)[N+](=O)[O-]

DOS

IR

Vibrations