Geometry & MOs

Info

ID:	317845
PubChem CID:	126646417
Reduced:	N3O4F5H12C18 (1)
Stoich.:	A3B4C5D12E18 (1)
Weight, g/mol:	586.149161
ΔH_f, kcal/mol:	-311.59
Dipole, Da:	6.42
IP(EA), eV:	-9.87(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-3-(1-methylsulfonylpiperidin-3-yl)oxypropan-1-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1F)OCC2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F)F

DOS

IR

Vibrations