Geometry & MOs

Info

ID:

429293

PubChem CID:

135169262

Reduced:

O3N6C28H32 (1)

Stoich.:

A3B6C28D32 (1)

Weight, g/mol:

535.272546

ΔHf, kcal/mol:

-54.44

Dipole, Da:

1.51

IP(EA), eV:

 -8.93(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(3-chlorocyclohexyl)propyl]-2-N-(3-fluorocyclohexyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations