Geometry & MOs

Info

ID:	231272
PubChem CID:	87573315
Reduced:	SN3O4F7H16C21 (1)
Stoich.:	AB3C4D7E16F21 (1)
Weight, g/mol:	380.176188
ΔH_f, kcal/mol:	-402.95
Dipole, Da:	6.75
IP(EA), eV:	-9.51(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diethyldecan-3-ylphosphanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1F)CNC(=O)/C=C\C2=C(N=C(C=C2)C(F)(F)F)OCC(F)(F)F)C#C

DOS

IR

Vibrations