Geometry & MOs

Info

ID:	328220
PubChem CID:	126699400
Reduced:	SO3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	462.077165
ΔH_f, kcal/mol:	-105.54
Dipole, Da:	2.84
IP(EA), eV:	-8.72(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,3,3,3-pentafluoro-2-[(3S)-1-(2-methylprop-2-enoyloxy)tricyclo[3.3.1.03,7]nonane-3-carbonyl]oxypropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC)O)C2=C(C=CC(=C2)C(C)(C)S)O

DOS

IR

Vibrations