Geometry & MOs

Info

ID:

308059

PubChem CID:

125316779

Reduced:

N3O3C26H29 (1)

Stoich.:

A3B3C26D29 (1)

Weight, g/mol:

470.33961

ΔHf, kcal/mol:

-54.16

Dipole, Da:

2.92

IP(EA), eV:

 -9.03(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,4S,5'S,6R,7R,8R,9R,13S,16R,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-16-yl] propanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@@H]5N2C(=O)CN(C5=O)CCCO

DOS

IR

Vibrations