Geometry & MOs

Info

ID:	49534
PubChem CID:	11533196
Reduced:	SN4O5C24H30 (1)
Stoich.:	AB4C5D24E30 (1)
Weight, g/mol:	486.230728
ΔH_f, kcal/mol:	-171.88
Dipole, Da:	7.75
IP(EA), eV:	-8.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(R)-[(2R,4R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-phenanthren-9-yloxymethyl]quinolin-6-ol

Drug info:

PubChemData

Smile

C1CCC2(C1)CCCN3C2=N/C(=C(\NCC4=CC=CC=C4N5CCCCS5(=O)=O)/O)/C(=O)C3=O

DOS

IR

Vibrations