Geometry & MOs

Info

ID:	149537
PubChem CID:	53789210
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	446.055146
ΔH_f, kcal/mol:	-34.7
Dipole, Da:	1.65
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methyl-2-methylideneundecanoic acid

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N

DOS

IR

Vibrations