Geometry & MOs

Info

ID:

429212

PubChem CID:

135169062

Reduced:

O3N5C27H33 (1)

Stoich.:

A3B5C27D33 (1)

Weight, g/mol:

533.236222

ΔHf, kcal/mol:

-52.85

Dipole, Da:

5.44

IP(EA), eV:

 -9.6(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=NC=C1)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)N[C@@H](C3CCCCC3)C4CC4)CC5=CC=NC=C5

DOS

IR

Vibrations