Geometry & MOs

Info

ID:

1336

PubChem CID:

4193

Reduced:

NO14C44H73 (1)

Stoich.:

AB14C44D73 (1)

Weight, g/mol:

839.503106

ΔHf, kcal/mol:

-674.09

Dipole, Da:

3.37

IP(EA), eV:

 -8.52(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-2,4,6-trimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]methoxy]-10-hydroxy-5,9,16-trimethyl-2-oxo-7-(2-oxopropyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1C)OCC2C(C(C(C(O2)C)OC3(CC(C(C(O3)C)OC(=O)CC)(C)O)C)N(C)C)O)CC(=O)C)C)O)C

DOS

IR

Vibrations