Geometry & MOs

Info

ID:

429238

PubChem CID:

135169142

Reduced:

Cl2F3O3N5C26H28 (1)

Stoich.:

A2B3C3D5E26F28 (1)

Weight, g/mol:

518.225323

ΔHf, kcal/mol:

-261.23

Dipole, Da:

2.22

IP(EA), eV:

 -9.06(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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