Geometry & MOs

Info

ID:

429196

PubChem CID:

135169043

Reduced:

O3N6C27H28 (1)

Stoich.:

A3B6C27D28 (1)

Weight, g/mol:

519.220572

ΔHf, kcal/mol:

-2.48

Dipole, Da:

7.0

IP(EA), eV:

 -9.2(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrimidin-5-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)N[C@H](C3CC3)C4=CN=CC=C4)CC5=CC(=NC=C5)N

DOS

IR

Vibrations