Geometry & MOs

Info

ID:

125408

PubChem CID:

50923121

Reduced:

F3N5O5H22C25 (1)

Stoich.:

A3B5C5D22E25 (1)

Weight, g/mol:

542.177704

ΔHf, kcal/mol:

-172.73

Dipole, Da:

3.49

IP(EA), eV:

 -9.48(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]propyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC(C2=CC=C(C=C2)C3=NOC(=N3)C4=C(C(=NO4)C5=CC=CC=N5)C(F)(F)F)O)C(=O)O

DOS

IR

Vibrations