Geometry & MOs

Info

ID:

429181

PubChem CID:

135169028

Reduced:

F3O3N5C28H32 (1)

Stoich.:

A3B3C5D28E32 (1)

Weight, g/mol:

477.173622

ΔHf, kcal/mol:

-248.24

Dipole, Da:

3.43

IP(EA), eV:

 -8.82(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrimidin-2-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](C(F)(F)F)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N4CCCC5=CC=CC=C54

DOS

IR

Vibrations