Geometry & MOs

Info

ID:	425186
PubChem CID:	135125460
Reduced:	N2F3O3C11H11 (1)
Stoich.:	A2B3C3D11E11 (1)
Weight, g/mol:	502.17871
ΔH_f, kcal/mol:	-247.49
Dipole, Da:	0.75
IP(EA), eV:	-11.5(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[10-(benzenesulfonyl)-3-[4-(cyanomethyl)-1-bicyclo[2.2.2]octanyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CC2(CCC1(C2)C#N)N(C(=O)C(F)(F)F)C(=O)O

DOS

IR

Vibrations