Geometry & MOs

Info

ID:

418107

PubChem CID:

135103593

Reduced:

N3O4C19H24 (2)

Stoich.:

A3B4C19D24 (2)

Weight, g/mol:

357.168856

ΔHf, kcal/mol:

-266.85

Dipole, Da:

1.65

IP(EA), eV:

 -9.0(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](COC2=CC=C(C[C@@H](C(=O)N1)NC(=O)CCN3C=CC=CC3=O)C=C2)CC4=CC=CC=C4)C(C)C)[C@@H](C)O

DOS

IR

Vibrations