Geometry & MOs

Info

ID:

399772

PubChem CID:

135042495

Reduced:

O2C14H19 (1)

Stoich.:

A2B14C19 (1)

Weight, g/mol:

340.865719

ΔHf, kcal/mol:

-54.59

Dipole, Da:

2.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.998598

Charge, e:

 0

Chem-info

IUPAC name:

1-(octasulfanyl)piperidine

Drug info:

PubChemData

Smile

CCCCC1=C/C(=C/C=C(\[O-])/OCC)/C=C1

DOS

IR

Vibrations