Geometry & MOs

Info

ID:

399663

PubChem CID:

135041569

Reduced:

SN5O21C26H45 (1)

Stoich.:

AB5C21D26E45 (1)

Weight, g/mol:

512.196587

ΔHf, kcal/mol:

-876.75

Dipole, Da:

6.88

IP(EA), eV:

 -9.94(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R,5R)-5-amino-2-[(2R,5S)-2-(3-azidopropoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1O[C@H]2C(C([C@H](C(O2)CO)O)O[C@@]3(C[C@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)N)O)C(=O)O)O)O)COS(=O)(=O)O)OCCCN=[N+]=[N-]

DOS

IR

Vibrations