Geometry & MOs

Info

ID:	448729
PubChem CID:	135293061
Reduced:	SO2F4N6C27H28 (1)
Stoich.:	AB2C4D6E27F28 (1)
Weight, g/mol:	316.055642
ΔH_f, kcal/mol:	-162.07
Dipole, Da:	10.14
IP(EA), eV:	-9.21(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfinate

Drug info:

PubChemData

Smile

CN(C1=CC(=C(N=C1)C#N)C(F)(F)F)C(=O)C2(CCC2)N(C=S)C3=CC(=C(C=C3)F)C(=O)NCCN4CCCC4

DOS

IR

Vibrations