Geometry & MOs

Info

ID:

225496

PubChem CID:

85852550

Reduced:

NC15H16 (1)

Stoich.:

AB15C16 (1)

Weight, g/mol:

432.301331

ΔHf, kcal/mol:

60.53

Dipole, Da:

2.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.238896

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl-dodecylsulfanyl-hexylsulfanylphosphane

Drug info:

PubChemData

Smile

CC[N+]1=CC=CC=C1C=CC2=CC=CC=C2

DOS

IR

Vibrations