Geometry & MOs

Info

ID:

429272

PubChem CID:

135169176

Reduced:

N5O6C34H41 (1)

Stoich.:

A5B6C34D41 (1)

Weight, g/mol:

512.230267

ΔHf, kcal/mol:

-207.64

Dipole, Da:

5.86

IP(EA), eV:

 -8.75(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H]1[C@H](C(=O)N1C(=O)N[C@H](C)C2=CC=CC=C2)CC3=CC(=NC=C3)N(CC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations