Geometry & MOs

Info

ID:

422136

PubChem CID:

135117270

Reduced:

SO7N9C38H47 (1)

Stoich.:

AB7C9D38E47 (1)

Weight, g/mol:

348.183778

ΔHf, kcal/mol:

-162.76

Dipole, Da:

12.71

IP(EA), eV:

 -8.25(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[dibenzofuran-4-ylmethyl(methyl)amino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CC(=NO5)C6CC6)C

DOS

IR

Vibrations