Geometry & MOs

Info

ID:

336924

PubChem CID:

127255931

Reduced:

NO3C6H13 (2)

Stoich.:

AB3C6D13 (2)

Weight, g/mol:

545.195584

ΔHf, kcal/mol:

-285.56

Dipole, Da:

2.2

IP(EA), eV:

 -9.82(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,3R,4S,5R)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide

Drug info:

PubChemData

Smile

CO[C@@H]([C@@H](CNCCCC[C@H](C(=O)O)N)O)[C@@H](CO)O

DOS

IR

Vibrations