Geometry & MOs

Info

ID:	242602
PubChem CID:	97857570
Reduced:	SF2N2O2C15H16 (1)
Stoich.:	AB2C2D2E15F16 (1)
Weight, g/mol:	339.110456
ΔH_f, kcal/mol:	-136.57
Dipole, Da:	6.67
IP(EA), eV:	-8.57(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-(2-methylsulfonylethyl)aniline

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)NC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations