Geometry & MOs

Info

ID:	309780
PubChem CID:	126558405
Reduced:	FSO2N6H23C27 (1)
Stoich.:	ABC2D6E23F27 (1)
Weight, g/mol:	632.84842
ΔH_f, kcal/mol:	76.07
Dipole, Da:	7.36
IP(EA), eV:	-8.2(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(3-bromo-4,5-diiodophenoxy)cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

C/C=C(/C1=CC(=CC(=C1)CNS(=O)O)F)\C2=C/C(=C/3\C4=C(C=CC(=C4)C5=CC=CC=N5)NN3)/N=C2N=C

DOS

IR

Vibrations