Geometry & MOs

Info

ID:

429153

PubChem CID:

135168944

Reduced:

O3N7C27H33 (1)

Stoich.:

A3B7C27D33 (1)

Weight, g/mol:

548.253589

ΔHf, kcal/mol:

-53.57

Dipole, Da:

5.45

IP(EA), eV:

 -8.98(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[bis(3-methylphenyl)methyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1CCCC(C1)C#N)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