Geometry & MOs

Info

ID:

429285

PubChem CID:

135169200

Reduced:

O3N5C26H27 (1)

Stoich.:

A3B5C26D27 (1)

Weight, g/mol:

506.183316

ΔHf, kcal/mol:

-39.86

Dipole, Da:

5.81

IP(EA), eV:

 -8.96(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H]1C(C(=O)N1C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC(=NC=C4)N

DOS

IR

Vibrations