Geometry & MOs

Info

ID:	180585
PubChem CID:	76657544
Reduced:	N2F3O3C24H31 (1)
Stoich.:	A2B3C3D24E31 (1)
Weight, g/mol:	468.248036
ΔH_f, kcal/mol:	-181.97
Dipole, Da:	3.91
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(1-tert-butylsulfinyl-3-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CCC(=O)C3CCOCC3)C(CC4=CC(=C(C=C4F)F)F)N

DOS

IR

Vibrations