Geometry & MOs

Info

ID:

419412

PubChem CID:

135108131

Reduced:

O6N7C35H37 (1)

Stoich.:

A6B7C35D37 (1)

Weight, g/mol:

401.195071

ΔHf, kcal/mol:

-148.44

Dipole, Da:

5.89

IP(EA), eV:

 -8.72(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O)CC3=CNC4=CC=CC=C43)C(=O)C5=CC=CC=N5)C6=CC=CC=C6

DOS

IR

Vibrations