Geometry & MOs

Info

ID:

17168

PubChem CID:

486649

Reduced:

N2O12C25H44 (1)

Stoich.:

A2B12C25D44 (1)

Weight, g/mol:

564.289425

ΔHf, kcal/mol:

-595.28

Dipole, Da:

10.38

IP(EA), eV:

 -10.61(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[[2-(3-carboxypropanoylamino)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl]amino]dodecanoic acid

Drug info:

PubChemData

Smile

C(CCCCCC(=O)O)CCCCCNC(=O)C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCC(=O)O

DOS

IR

Vibrations