Geometry & MOs

Info

ID:

429195

PubChem CID:

135169042

Reduced:

O3N5C26H33 (1)

Stoich.:

A3B5C26D33 (1)

Weight, g/mol:

484.222289

ΔHf, kcal/mol:

-89.69

Dipole, Da:

4.52

IP(EA), eV:

 -8.79(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(R)-cyclopropyl(pyridin-3-yl)methyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C[C@H](C1CCCCC1)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations