Geometry & MOs

Info

ID:	317771
PubChem CID:	126645718
Reduced:	ClFN2O4H12C16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	603.187799
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	3.25
IP(EA), eV:	-9.34(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-4-[3-[2-(4-fluorophenyl)propyl-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-6-methylsulfonylphenyl]ethanol

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)NO)CC3=CC(=C(C=C3)Cl)F

DOS

IR

Vibrations