Geometry & MOs

Info

ID:	427372
PubChem CID:	135157823
Reduced:	O2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	574.202365
ΔH_f, kcal/mol:	-97.64
Dipole, Da:	2.62
IP(EA), eV:	-9.21(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,3,3,3-pentafluoro-2-[3-methyl-3-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxycarbonyl]bicyclo[3.3.1]nonane-1-carbonyl]oxypropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1C2=CC=CC=C2CCCC13CCC3

DOS

IR

Vibrations