Geometry & MOs

Info

ID:

308211

PubChem CID:

125317259

Reduced:

N3O3H15C16 (1)

Stoich.:

A3B3C15D16 (1)

Weight, g/mol:

722.138917

ΔHf, kcal/mol:

-37.55

Dipole, Da:

2.32

IP(EA), eV:

-8.76(-0.56)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R,3R,4R,5S,6S)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4S,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C=CO[C@H]1CNC(=O)C2=C3COC4=CC=CC=C4C3=NN2

DOS

IR

Vibrations