Geometry & MOs

Info

ID:	403269
PubChem CID:	135059458
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	633.177923
ΔH_f, kcal/mol:	-179.79
Dipole, Da:	1.87
IP(EA), eV:	-10.0(0.67)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S,4R,5R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2-[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCC[C@@H](CC(=O)OC)NC(=O)C

DOS

IR

Vibrations