Geometry & MOs

Info

ID:	231685
PubChem CID:	87574446
Reduced:	S2O3F9H23C26 (1)
Stoich.:	A2B3C9D23E26 (1)
Weight, g/mol:	396.342357
ΔH_f, kcal/mol:	-504.13
Dipole, Da:	10.9
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[dimethyl(octadecyl)silyl]-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=CC=C1[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

DOS

IR

Vibrations