Geometry & MOs

Info

ID:

44145

PubChem CID:

10501163

Reduced:

F3O3C22H31 (1)

Stoich.:

A3B3C22D31 (1)

Weight, g/mol:

400.246104

ΔHf, kcal/mol:

-285.27

Dipole, Da:

2.24

IP(EA), eV:

 -9.99(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,3'S,4S,5S,6R,8S,9S,10S,11R,13S,14R)-13-ethyl-14-methoxy-4,5,10-trimethylspiro[2,7,12-trioxatricyclo[9.4.0.03,8]pentadecane-6,5'-oxolane]-3',9-diol

Drug info:

PubChemData

Smile

C[C@H](CCCCCCCCC=C)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC

DOS

IR

Vibrations