Geometry & MOs

Info

ID:

221558

PubChem CID:

85279662

Reduced:

S5O46C76H102 (1)

Stoich.:

A5B46C76D102 (1)

Weight, g/mol:

136.125201

ΔHf, kcal/mol:

-2102.62

Dipole, Da:

6.25

IP(EA), eV:

 -8.72(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

deca-2,4,5-triene

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)SCC2C(C(C(C(O2)SCC3C(C(C(C(O3)SCC4C(C(C(C(O4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)SC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)SC6C(C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations