Geometry & MOs

Info

ID:

429164

PubChem CID:

135169011

Reduced:

ON2C9H10 (3)

Stoich.:

AB2C9D10 (3)

Weight, g/mol:

490.212867

ΔHf, kcal/mol:

-43.37

Dipole, Da:

3.04

IP(EA), eV:

 -8.85(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations