Geometry & MOs

Info

ID:	404730
PubChem CID:	135070108
Reduced:	O3C4N4H8 (1)
Stoich.:	A3B4C4D8 (1)
Weight, g/mol:	504.159139
ΔH_f, kcal/mol:	-62.77
Dipole, Da:	2.95
IP(EA), eV:	-10.37(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Drug info:

PubChemData

Smile

C([C@H]([C@H](C(=O)O)N)O)N=[N+]=[N-]

DOS

IR

Vibrations