Geometry & MOs

Info

ID:

429158

PubChem CID:

135168949

Reduced:

FO3N6C26H33 (1)

Stoich.:

AB3C6D26E33 (1)

Weight, g/mol:

511.235018

ΔHf, kcal/mol:

-133.32

Dipole, Da:

4.65

IP(EA), eV:

 -8.95(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-2-N-(3-chlorophenyl)-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1CCCC(C1)F)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations