Geometry & MOs

Info

ID:

429162

PubChem CID:

135169009

Reduced:

ClO3N5H24C25 (1)

Stoich.:

AB3C5D24E25 (1)

Weight, g/mol:

478.152016

ΔHf, kcal/mol:

-37.76

Dipole, Da:

8.88

IP(EA), eV:

 -9.16(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(3-chlorophenyl)methyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations