Geometry & MOs

Info

ID:

17167

PubChem CID:

486648

Reduced:

N2O12C35H64 (1)

Stoich.:

A2B12C35D64 (1)

Weight, g/mol:

704.445926

ΔHf, kcal/mol:

-643.1

Dipole, Da:

11.54

IP(EA), eV:

 -9.8(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[[2-(11-carboxyundecanoylamino)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl]amino]tetradecanoic acid

Drug info:

PubChemData

Smile

C(CCCCCCC(=O)O)CCCCCCNC(=O)C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCC(=O)O

DOS

IR

Vibrations