Geometry & MOs

Info

ID:

429258

PubChem CID:

135169162

Reduced:

Cl2O3N5C27H27 (1)

Stoich.:

A2B3C5D27E27 (1)

Weight, g/mol:

485.24269

ΔHf, kcal/mol:

-65.45

Dipole, Da:

5.25

IP(EA), eV:

 -8.93(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-amino-6-methylpyridin-4-yl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-[(1R)-1-phenylpropyl]azetidine-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)N)C(=O)N(C)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations