Geometry & MOs

Info

ID:

427336

PubChem CID:

135157285

Reduced:

O3N6C25H26 (1)

Stoich.:

A3B6C25D26 (1)

Weight, g/mol:

656.187858

ΔHf, kcal/mol:

-1.62

Dipole, Da:

9.05

IP(EA), eV:

 -8.67(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]oxycarbonyl-5-(4-tricyclo[5.3.1.13,9]dodecanyloxycarbonyl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC3=C(C=C2)C=CC(=N3)N(CC4CCC(=O)N4)C5=CC(=CC(=C5)OC)OC

DOS

IR

Vibrations