Geometry & MOs

Info

ID:

429163

PubChem CID:

135169010

Reduced:

ClO3N6H23C24 (1)

Stoich.:

AB3C6D23E24 (1)

Weight, g/mol:

486.237939

ΔHf, kcal/mol:

-26.59

Dipole, Da:

7.01

IP(EA), eV:

 -9.15(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-2-N-methyl-1-N-[(1R)-1-(6-methylpyridin-3-yl)propyl]-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=NC=C1)C(=O)[C@@H]2C(C(=O)N2C(=O)NCC3=CC(=CC=C3)Cl)CC4=CC(=NC=C4)N

DOS

IR

Vibrations