Geometry & MOs

Info

ID:

382415

PubChem CID:

134973554

Reduced:

ClO5C19H29 (1)

Stoich.:

AB5C19D29 (1)

Weight, g/mol:

718.374839

ΔHf, kcal/mol:

-252.58

Dipole, Da:

2.58

IP(EA), eV:

 -10.03(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,4R,13R,16S,17S,21R,22R)-7-ethenyl-28-methoxy-17-(methoxymethoxy)-3,22-dimethyl-4-(2-trimethylsilylethoxymethoxy)-8,24,27-trioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-14,25(28)-diene-9,23,26-trione

Drug info:

PubChemData

Smile

C[C@@]1([C@@H]2CCC[C@@H]([C@H]2C=C[C@H]1CCCC(=O)OC)OCOC)C(=O)Cl

DOS

IR

Vibrations