Geometry & MOs

Info

ID:

429200

PubChem CID:

135169047

Reduced:

O3N5C28H37 (1)

Stoich.:

A3B5C28D37 (1)

Weight, g/mol:

489.27399

ΔHf, kcal/mol:

-89.27

Dipole, Da:

9.02

IP(EA), eV:

 -8.75(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H](C1CCCCC1)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations