Geometry & MOs

Info

ID:	396050
PubChem CID:	135027293
Reduced:	NS2O4F6C20H29 (1)
Stoich.:	AB2C4D6E20F29 (1)
Weight, g/mol:	525.14422
ΔH_f, kcal/mol:	-477.17
Dipole, Da:	27.21
IP(EA), eV:	-9.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,2-bis(trifluoromethylsulfonyl)ethyl]-N,N-dipentylaniline

Drug info:

PubChemData

Smile

CCCCC[NH+](CCCCC)C1=CC=C(C=C1)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations