Geometry & MOs

Info

ID:	317795
PubChem CID:	126645781
Reduced:	ClF3O3N4H14C18 (1)
Stoich.:	AB3C3D4E14F18 (1)
Weight, g/mol:	553.190992
ΔH_f, kcal/mol:	-183.29
Dipole, Da:	5.97
IP(EA), eV:	-8.93(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-2-methylsulfonylphenyl]propan-2-ol

Drug info:

PubChemData

Smile

CN(CC1=C(C=C(C=C1)C(=O)O)Cl)C2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations