Geometry & MOs

Info

ID:

429266

PubChem CID:

135169170

Reduced:

ClO3N6C26H27 (1)

Stoich.:

AB3C6D26E27 (1)

Weight, g/mol:

486.237939

ΔHf, kcal/mol:

-44.52

Dipole, Da:

3.99

IP(EA), eV:

 -9.01(-0.58)

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-(2-methylphenyl)propyl]-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1Cl)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations