Geometry & MOs

Info

ID:	172182
PubChem CID:	75476372
Reduced:	SN2F3O3C13H17 (1)
Stoich.:	AB2C3D3E13F17 (1)
Weight, g/mol:	347.112206
ΔH_f, kcal/mol:	-251.42
Dipole, Da:	4.5
IP(EA), eV:	-9.49(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-fluorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCOC(C1)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations