Geometry & MOs

Info

ID:

429193

PubChem CID:

135169040

Reduced:

F3O4N5C28H28 (1)

Stoich.:

A3B4C5D28E28 (1)

Weight, g/mol:

504.284889

ΔHf, kcal/mol:

-246.44

Dipole, Da:

5.13

IP(EA), eV:

 -8.92(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)OC(F)(F)F)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations