Geometry & MOs

Info

ID:

429229

PubChem CID:

135169133

Reduced:

O3N5C28H29 (1)

Stoich.:

A3B5C28D29 (1)

Weight, g/mol:

557.238052

ΔHf, kcal/mol:

-40.42

Dipole, Da:

9.02

IP(EA), eV:

 -9.08(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)NC3CCCC4=CC=CC=C34)CC5=CC(=NC=C5)N

DOS

IR

Vibrations