Geometry & MOs

Info

ID:	11021
PubChem CID:	109964
Reduced:	NSO2H8C13F13 (1)
Stoich.:	ABC2D8E13F13 (1)
Weight, g/mol:	489.006816
ΔH_f, kcal/mol:	-688.02
Dipole, Da:	4.91
IP(EA), eV:	-9.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations