Geometry & MOs

Info

ID:

429247

PubChem CID:

135169151

Reduced:

ClF3O3N5C25H27 (1)

Stoich.:

AB3C3D5E25F27 (1)

Weight, g/mol:

550.1328

ΔHf, kcal/mol:

-257.63

Dipole, Da:

3.3

IP(EA), eV:

 -8.99(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](C(F)(F)F)NC(=O)N2[C@@H]([C@@H](C2=O)CC3=CC(=NC=C3)N)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations