Geometry & MOs

Info

ID:	188719
PubChem CID:	77758579
Reduced:	O4C23H28 (1)
Stoich.:	A4B23C28 (1)
Weight, g/mol:	435.128649
ΔH_f, kcal/mol:	-148.96
Dipole, Da:	2.58
IP(EA), eV:	-8.76(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylsulfonylamino)phenoxy]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=CC3=CC(=CO3)OC(=O)O)C)C(CCC2(C)C)(C)C

DOS

IR

Vibrations