Geometry & MOs

Info

ID:

429154

PubChem CID:

135168945

Reduced:

O3N6C32H32 (1)

Stoich.:

A3B6C32D32 (1)

Weight, g/mol:

473.217538

ΔHf, kcal/mol:

-7.35

Dipole, Da:

7.59

IP(EA), eV:

 -9.2(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-2-N-methyl-4-oxo-2-N-pyridin-4-yl-1-N-[(1R)-1-pyridin-3-ylpropyl]azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=CC=CC(=C2)C)NC(=O)N3[C@@H]([C@H](C3=O)CC4=CC(=NC=C4)N)C(=O)N(C)C5=CC=NC=C5

DOS

IR

Vibrations