Geometry & MOs

Info

ID:	293484
PubChem CID:	117391551
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	255.109314
ΔH_f, kcal/mol:	-90.6
Dipole, Da:	8.19
IP(EA), eV:	-9.58(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2(CC2)CN)S(=O)(=O)C

DOS

IR

Vibrations