Geometry & MOs

Info

ID:	242603
PubChem CID:	97857572
Reduced:	NSF2O2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	339.110456
ΔH_f, kcal/mol:	-148.14
Dipole, Da:	4.52
IP(EA), eV:	-8.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations