Geometry & MOs

Info

ID:

429225

PubChem CID:

135169129

Reduced:

O3N6C26H28 (1)

Stoich.:

A3B6C26D28 (1)

Weight, g/mol:

493.280138

ΔHf, kcal/mol:

-33.63

Dipole, Da:

3.2

IP(EA), eV:

 -8.95(-0.48)

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-ethyl-4-oxo-2-N-pyrimidin-2-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CN=CC=C1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations