Geometry & MOs

Info

ID:	83961
PubChem CID:	49862883
Reduced:	SF3O4N5H11C16 (1)
Stoich.:	AB3C4D5E11F16 (1)
Weight, g/mol:	557.250141
ΔH_f, kcal/mol:	-106.18
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.935386
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3,5-diethoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)N(N=O)[O-]

DOS

IR

Vibrations