Geometry & MOs

Info

ID:	204973
PubChem CID:	80038370
Reduced:	SO2N4H6C8 (1)
Stoich.:	AB2C4D6E8 (1)
Weight, g/mol:	313.075963
ΔH_f, kcal/mol:	19.78
Dipole, Da:	6.87
IP(EA), eV:	-9.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylsulfonylbutan-1-amine

Drug info:

PubChemData

Smile

C1=CN=CC(=C1C(=O)NC2=NN=CS2)O

DOS

IR

Vibrations