Geometry & MOs

Info

ID:

329383

PubChem CID:

126735862

Reduced:

O11C23H42 (2)

Stoich.:

A11B23C42 (2)

Weight, g/mol:

451.119793

ΔHf, kcal/mol:

-1069.29

Dipole, Da:

5.11

IP(EA), eV:

 -10.1(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-2-methyl-4-(oxaloamino)pentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(CO)O[C@H]([C@H](CO)O)OCC(CCCC1CCCCC1)(CCCC2CCCCC2)CO[C@H]3C([C@H]([C@@H](C(O3)CO)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)O)O[C@@H]5C(C([C@@H](C(O5)CO)O)O)O

DOS

IR

Vibrations