Geometry & MOs

Info

ID:

229606

PubChem CID:

87568146

Reduced:

SN4O16C48H80 (1)

Stoich.:

AB4C16D48E80 (1)

Weight, g/mol:

558.46481

ΔHf, kcal/mol:

-712.75

Dipole, Da:

9.97

IP(EA), eV:

 -8.96(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9Z,12Z)-19-[(5Z,8Z)-tetradeca-5,8-dienyl]docosa-9,12-dienedioic acid

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H](C([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O.CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations