Geometry & MOs

Info

ID:

47393

PubChem CID:

10532273

Reduced:

O7N9C30H51 (1)

Stoich.:

A7B9C30D51 (1)

Weight, g/mol:

650.226944

ΔHf, kcal/mol:

-328.83

Dipole, Da:

5.21

IP(EA), eV:

 -9.36(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[(2R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NN)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H](CC2=CN=CN2)N

DOS

IR

Vibrations