Geometry & MOs

Info

ID:

429292

PubChem CID:

135169261

Reduced:

Cl2O3N6C26H32 (1)

Stoich.:

A2B3C6D26E32 (1)

Weight, g/mol:

500.253589

ΔHf, kcal/mol:

-103.28

Dipole, Da:

6.18

IP(EA), eV:

 -9.01(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1CCCC(C1Cl)Cl)NC(=O)N2[C@@H]([C@@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations