Geometry & MOs

Info

ID:

7163

PubChem CID:

71436

Reduced:

NO8C24H45 (1)

Stoich.:

AB8C24D45 (1)

Weight, g/mol:

475.314517

ΔHf, kcal/mol:

-401.48

Dipole, Da:

6.28

IP(EA), eV:

 -9.95(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-2-(hydroxymethyl)propane-1,3-diol;7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](C=C[C@H]1[C@@H](C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O)O.C(C(CO)(CO)N)O

DOS

IR

Vibrations