Geometry & MOs

Info

ID:	321718
PubChem CID:	126666853
Reduced:	SO2N6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	604.108324
ΔH_f, kcal/mol:	56.61
Dipole, Da:	5.3
IP(EA), eV:	-8.51(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-hydroxyphenyl]cyclohexyl]phenol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)OC)CC5=CN6C(=N5)SC=N6

DOS

IR

Vibrations