Geometry & MOs

Info

ID:

429152

PubChem CID:

135168943

Reduced:

O4N6C27H30 (1)

Stoich.:

A4B6C27D30 (1)

Weight, g/mol:

503.264488

ΔHf, kcal/mol:

-74.43

Dipole, Da:

4.41

IP(EA), eV:

 -9.0(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations