Geometry & MOs

Info

ID:

15391

PubChem CID:

440241

Reduced:

PO9C56H93 (1)

Stoich.:

AB9C56D93 (1)

Weight, g/mol:

940.655722

ΔHf, kcal/mol:

-524.24

Dipole, Da:

2.88

IP(EA), eV:

 -8.92(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl [(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)C)C)C)C)C)C)C

DOS

IR

Vibrations