Geometry & MOs

Info

ID:

429213

PubChem CID:

135169063

Reduced:

F3O3N7C25H30 (1)

Stoich.:

A3B3C7D25E30 (1)

Weight, g/mol:

479.264488

ΔHf, kcal/mol:

-225.95

Dipole, Da:

6.04

IP(EA), eV:

 -9.02(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=NC=CC=N1)C(=O)[C@@H]2C(C(=O)N2C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)CC4=CC(=NC=C4)N

DOS

IR

Vibrations