Geometry & MOs

Info

ID:

408681

PubChem CID:

135081449

Reduced:

NO5C14H19 (1)

Stoich.:

AB5C14D19 (1)

Weight, g/mol:

480.287574

ΔHf, kcal/mol:

-225.15

Dipole, Da:

3.7

IP(EA), eV:

 -9.33(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5'S,6'R,10E,12E,14R,16E,19R,21R)-7-hydroxy-5',6,6',14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CC(=CC[C@@H]1C(=O)N2CCOC2=O)C

DOS

IR

Vibrations