Geometry & MOs

Info

ID:

429211

PubChem CID:

135169061

Reduced:

O3N5C26H27 (1)

Stoich.:

A3B5C26D27 (1)

Weight, g/mol:

475.25834

ΔHf, kcal/mol:

-30.45

Dipole, Da:

4.56

IP(EA), eV:

 -9.07(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-1-N-[(R)-cyclohexyl(cyclopropyl)methyl]-2-N-methyl-4-oxo-2-N-pyridin-4-yl-3-(pyridin-4-ylmethyl)azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations