Geometry & MOs

Info

ID:

26021

PubChem CID:

636388

Reduced:

O3C20H26 (1)

Stoich.:

A3B20C26 (1)

Weight, g/mol:

581.221422

ΔHf, kcal/mol:

-141.87

Dipole, Da:

7.04

IP(EA), eV:

 -9.73(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol;sulfuric acid

Drug info:

PubChemData

Smile

C1CCC2CC(CC2C1)C(=O)C[C@@H](CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations