Geometry & MOs

Info

ID:

429165

PubChem CID:

135169012

Reduced:

FO3N6C26H27 (1)

Stoich.:

AB3C6D26E27 (1)

Weight, g/mol:

487.233188

ΔHf, kcal/mol:

-81.55

Dipole, Da:

4.0

IP(EA), eV:

 -9.0(-0.59)

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-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations