Geometry & MOs

Info

ID:

429191

PubChem CID:

135169038

Reduced:

O3N6C28H32 (1)

Stoich.:

A3B6C28D32 (1)

Weight, g/mol:

491.28964

ΔHf, kcal/mol:

-49.36

Dipole, Da:

3.52

IP(EA), eV:

 -9.03(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)[C@@H](CC)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations