Geometry & MOs

Info

ID:	384825
PubChem CID:	134977746
Reduced:	PO3F15H15C27 (1)
Stoich.:	AB3C15D15E27 (1)
Weight, g/mol:	262.001611
ΔH_f, kcal/mol:	-851.81
Dipole, Da:	4.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757658
Charge, e:	0

Chem-info

IUPAC name:

1-[[ethylsulfanyl(methyl)phosphoryl]oxy-methylphosphoryl]sulfanylethane

Drug info:

PubChemData

Smile

C1C(O[P-]123(C4=CC=CC=C4C(O2)(C(F)(F)F)C(F)(F)F)C5=CC=CC=C5C(O3)(C(F)(F)F)C(F)(F)F)(C6=CC=CC=C6)C(F)(F)F

DOS

IR

Vibrations