Geometry & MOs

Info

ID:

429182

PubChem CID:

135169029

Reduced:

F3O3N7C21H22 (1)

Stoich.:

A3B3C7D21E22 (1)

Weight, g/mol:

535.220652

ΔHf, kcal/mol:

-180.8

Dipole, Da:

6.27

IP(EA), eV:

 -9.04(-1.15)

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-(3-fluorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CN(C1=NC=CC=N1)C(=O)[C@@H]2C(C(=O)N2C(=O)N[C@@H](C3CC3)C(F)(F)F)CC4=CC(=NC=C4)N

DOS

IR

Vibrations