Geometry & MOs

Info

ID:

11971

PubChem CID:

124690

Reduced:

N2O13C20H28 (1)

Stoich.:

A2B13C20D28 (1)

Weight, g/mol:

504.159139

ΔHf, kcal/mol:

-478.67

Dipole, Da:

6.36

IP(EA), eV:

 -10.38(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H](C1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CO)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations