Geometry & MOs

Info

ID:

429194

PubChem CID:

135169041

Reduced:

O3N6C28H36 (1)

Stoich.:

A3B6C28D36 (1)

Weight, g/mol:

463.25834

ΔHf, kcal/mol:

-69.22

Dipole, Da:

4.65

IP(EA), eV:

 -9.0(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-cyclohexylethyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)N(C)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)N[C@@H](C3CCCCC3)C4CC4)CC5=CC(=NC=C5)N

DOS

IR

Vibrations