Geometry & MOs

Info

ID:

429253

PubChem CID:

135169157

Reduced:

ClF3O3N5C26H29 (1)

Stoich.:

AB3C3D5E26F29 (1)

Weight, g/mol:

519.203718

ΔHf, kcal/mol:

-243.05

Dipole, Da:

9.19

IP(EA), eV:

 -9.2(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-amino-6-methylpyridin-4-yl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)Cl)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