Geometry & MOs

Info

ID:

429269

PubChem CID:

135169173

Reduced:

ON2C9H10 (3)

Stoich.:

AB2C9D10 (3)

Weight, g/mol:

484.198966

ΔHf, kcal/mol:

-46.54

Dipole, Da:

4.43

IP(EA), eV:

 -8.96(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1C)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