Geometry & MOs

Info

ID:	169504
PubChem CID:	75112858
Reduced:	FON2H12C13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	271.12177
ΔH_f, kcal/mol:	-101.66
Dipole, Da:	4.4
IP(EA), eV:	-9.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexyl-2,2,2-trifluoroethyl)propane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=NC=CN3)C(=O)NC(C4CCC4)C5=CC(=CC=C5)F

DOS

IR

Vibrations