Geometry & MOs

Info

ID:	46198
PubChem CID:	10523004
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	367.133907
ΔH_f, kcal/mol:	0.28
Dipole, Da:	8.16
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,8E)-8-[(4-chlorophenyl)methylidene]-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N\1CCCS/C1=C\C(=C(C#N)C#N)C2=CC=CC=C2

DOS

IR

Vibrations