Geometry & MOs

Info

ID:

409531

PubChem CID:

135082313

Reduced:

OSC2H4 (2)

Stoich.:

ABC2D4 (2)

Weight, g/mol:

570.140851

ΔHf, kcal/mol:

-79.43

Dipole, Da:

1.74

IP(EA), eV:

-9.26(-0.14)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

pentadecacyclo[28.16.0.02,11.03,44.04,9.05,42.08,17.010,15.012,29.013,26.014,23.016,21.033,46.036,45.038,43]hexatetraconta-1(30),2,4,6,8,10,12(29),13(26),14(23),15,17,19,21,24,27,31,33(46),34,36(45),37,39,41,43-tricosaene

Drug info:

PubChemData

Smile

C1(C(C(C1S)S)O)O

DOS

IR

Vibrations