Geometry & MOs

Info

ID:

429199

PubChem CID:

135169046

Reduced:

F3O3N6C26H31 (1)

Stoich.:

A3B3C6D26E31 (1)

Weight, g/mol:

491.28964

ΔHf, kcal/mol:

-230.38

Dipole, Da:

9.71

IP(EA), eV:

 -9.16(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-cyclohexyl-2-methylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCN(C1=CC=NC=C1)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)CC4=CC(=NC=C4)N

DOS

IR

Vibrations