Geometry & MOs

Info

ID:

429174

PubChem CID:

135169021

Reduced:

ClO4N6C28H31 (1)

Stoich.:

AB4C6D28E31 (1)

Weight, g/mol:

520.198966

ΔHf, kcal/mol:

-98.63

Dipole, Da:

2.36

IP(EA), eV:

 -9.05(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations