Geometry & MOs

Info

ID:

429245

PubChem CID:

135169149

Reduced:

F3O4N5C26H30 (1)

Stoich.:

A3B4C5D26E30 (1)

Weight, g/mol:

537.175452

ΔHf, kcal/mol:

-286.48

Dipole, Da:

2.32

IP(EA), eV:

 -8.49(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=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