Geometry & MOs

Info

ID:

429264

PubChem CID:

135169168

Reduced:

F3O3N5C27H32 (1)

Stoich.:

A3B3C5D27E32 (1)

Weight, g/mol:

489.27399

ΔHf, kcal/mol:

-250.99

Dipole, Da:

4.35

IP(EA), eV:

 -9.0(-0.38)

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-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C)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