Geometry & MOs

Info

ID:	376845
PubChem CID:	134222874
Reduced:	FPO3C31H33 (1)
Stoich.:	ABC3D31E33 (1)
Weight, g/mol:	515.122161
ΔH_f, kcal/mol:	-87.39
Dipole, Da:	12.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.910142
Charge, e:	1

Chem-info

IUPAC name:

[4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C(COCCOCCO)F

DOS

IR

Vibrations