Geometry & MOs

Info

ID:

429226

PubChem CID:

135169130

Reduced:

O3N7C26H35 (1)

Stoich.:

A3B7C26D35 (1)

Weight, g/mol:

472.222289

ΔHf, kcal/mol:

-77.7

Dipole, Da:

3.11

IP(EA), eV:

 -8.93(-0.84)

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-phenyl-1-N-[(1R)-1-pyridin-4-ylpropyl]azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1CCCCC1)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(CC)C4=NC=CC=N4

DOS

IR

Vibrations