Geometry & MOs

Info

ID:	396577
PubChem CID:	135028794
Reduced:	BrNO2H18C20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	500.260983
ΔH_f, kcal/mol:	-25.63
Dipole, Da:	3.92
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]-3-(2,4,6-trimethylphenyl)thiourea

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C1=CC2=CC=CC=C2C=C1)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations