Geometry & MOs

Info

ID:	298566
PubChem CID:	117651130
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	341.132196
ΔH_f, kcal/mol:	-21.97
Dipole, Da:	1.75
IP(EA), eV:	-9.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;hydrate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)OCC#C)N=[N+]=[N-]

DOS

IR

Vibrations