Geometry & MOs

Info

ID:

429188

PubChem CID:

135169035

Reduced:

O3N5C29H37 (1)

Stoich.:

A3B5C29D37 (1)

Weight, g/mol:

500.253589

ΔHf, kcal/mol:

-67.41

Dipole, Da:

9.56

IP(EA), eV:

 -9.02(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-2-N-methyl-1-N-[(1R)-1-(3-methylphenyl)propyl]-2-N-(2-methylpyridin-4-yl)-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)[C@@H]2C(C(=O)N2C(=O)N[C@@H](C3CCCCC3)C4CC4)CC5=CC(=NC=C5)N

DOS

IR

Vibrations