Geometry & MOs

Info

ID:

384640

PubChem CID:

134977384

Reduced:

C13H24 (2)

Stoich.:

A13B24 (2)

Weight, g/mol:

587.197544

ΔHf, kcal/mol:

-54.73

Dipole, Da:

0.69

IP(EA), eV:

 -9.1(1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2E)-2-[(2'S,5'Z,9'R)-12'-(1,3-dioxoisoindol-2-yl)-2'-hydroxy-9'-triethylsilyloxyspiro[1,3-dioxolane-2,11'-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyne]-13'-ylidene]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC#CCC[C@H](C)CCC=C(C)C

DOS

IR

Vibrations