Geometry & MOs

Info

ID:	417443
PubChem CID:	135094230
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	397.147156
ΔH_f, kcal/mol:	-49.62
Dipole, Da:	2.83
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(3-fluoro-N-methylsulfonylanilino)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OCC2=CC=CC=N2)C3C[C@@H]4CC(C[C@@H]4C3)O

DOS

IR

Vibrations