Geometry & MOs

Info

ID:

296820

PubChem CID:

117594726

Reduced:

NSO7C33H33 (1)

Stoich.:

ABC7D33E33 (1)

Weight, g/mol:

1376.800744

ΔHf, kcal/mol:

-215.35

Dipole, Da:

5.76

IP(EA), eV:

 -8.73(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;[3-[2,3-di(dodecanoyloxy)propoxy-oxidophosphoryl]oxy-2-hydroxypropyl] 2,3-di(dodecanoyloxy)propyl phosphate;1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CN1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1.COC1=CC=CC=C1C=CC(=O)O.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations