Geometry & MOs

Info

ID:

382433

PubChem CID:

134973578

Reduced:

O3C14H22 (2)

Stoich.:

A3B14C22 (2)

Weight, g/mol:

600.329833

ΔHf, kcal/mol:

-260.8

Dipole, Da:

5.6

IP(EA), eV:

 -8.82(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,6R,7E,13R,16S,17S,21R,22R)-28-methoxy-17-(methoxymethoxy)-4-(methoxymethoxymethyl)-3,22-dimethyl-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-23,26-dione

Drug info:

PubChemData

Smile

CC=C(COCOC)/C=C/C=C/CCCC[C@@H]1C=C[C@H]2[C@H]([C@]1(C)C(=O)O)CCC[C@@H]2OCOC

DOS

IR

Vibrations