Geometry & MOs

Info

ID:

429230

PubChem CID:

135169134

Reduced:

ClF3O3N5C26H35 (1)

Stoich.:

AB3C3D5E26F35 (1)

Weight, g/mol:

531.245724

ΔHf, kcal/mol:

-298.75

Dipole, Da:

3.77

IP(EA), eV:

 -9.19(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-2-N-(3-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CN(C1CCCC(C1)Cl)C(=O)[C@@H]2C(C(=O)N2C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)CC4=CC(=NC=C4)N

DOS

IR

Vibrations