Geometry & MOs

Info

ID:	397446
PubChem CID:	135030228
Reduced:	SO2N3H21C29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	468.202463
ΔH_f, kcal/mol:	88.4
Dipole, Da:	5.24
IP(EA), eV:	-8.49(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[[4-(trifluoromethyl)phenyl]methoxy]methyl]quinolin-6-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C(=C\2/C3=CC=CC=C3NC2=O)/S/C(=N\NC4=CC=CC=C4)/C5=CC=CC=C5

DOS

IR

Vibrations