Geometry & MOs

Info

ID:	223653
PubChem CID:	85335373
Reduced:	SO2C7H10 (3)
Stoich.:	AB2C7D10 (3)
Weight, g/mol:	475.101841
ΔH_f, kcal/mol:	-245.97
Dipole, Da:	1.9
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-3-[3-(2-fluorophenoxy)-N-[3-(trifluoromethyl)phenoxy]anilino]propan-2-ol

Drug info:

PubChemData

Smile

COCC1=CC=C(S1)CC(C=CC2C(CC(=O)C2SCCCSCC(=O)OC)O)O

DOS

IR

Vibrations