Geometry & MOs

Info

ID:	143960
PubChem CID:	53288139
Reduced:	SF2N2O3C17H18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	390.144713
ΔH_f, kcal/mol:	-180.05
Dipole, Da:	8.68
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylsulfanylethyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=CC=C1)F)N(C2=CC=CC=C2F)S(=O)(=O)C

DOS

IR

Vibrations