Geometry & MOs

Info

ID:

934

PubChem CID:

3550

Reduced:

NaO15C47H79 (1)

Stoich.:

AB15C47D79 (1)

Weight, g/mol:

906.531666

ΔHf, kcal/mol:

-855.5

Dipole, Da:

12.92

IP(EA), eV:

 -8.82(1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2-[2-hydroxy-6-[[2-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl]-3-(5-methoxy-6-methyloxan-2-yl)oxyoxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1CC(C(OC1C2CCC(O2)C3CC(C(O3)C4(CC(C5(O4)C(C(CC(O5)CC6C(C(C(C(O6)(C(C)C(=O)[O-])O)C)OC)C)OC)C)C)C)OC7CCC(C(O7)C)OC)(C)O)C.[Na+]

DOS

IR

Vibrations