Geometry & MOs

Info

ID:

232027

PubChem CID:

87575184

Reduced:

SO3N5C14H16 (1)

Stoich.:

AB3C5D14E16 (1)

Weight, g/mol:

264.104419

ΔHf, kcal/mol:

-20.47

Dipole, Da:

2.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.050871

Charge, e:

 2

Chem-info

IUPAC name:

oxo-[oxo(pentyl)phosphaniumyl]carbonyl-pentylphosphanium

Drug info:

PubChemData

Smile

CC1C(CN2[C@H](S1)C(C2=O)N)(C(=O)O)[N+]3=C4C=CC=NN4C=C3

DOS

IR

Vibrations