Geometry & MOs

Info

ID:

429208

PubChem CID:

135169058

Reduced:

ON2C9H10 (3)

Stoich.:

AB2C9D10 (3)

Weight, g/mol:

474.263091

ΔHf, kcal/mol:

-35.79

Dipole, Da:

4.4

IP(EA), eV:

 -8.9(-0.52)

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-phenyl-3-(pyridin-4-ylmethyl)azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations