Geometry & MOs

Info

ID:

125047

PubChem CID:

50907980

Reduced:

OC12H15 (2)

Stoich.:

AB12C15 (2)

Weight, g/mol:

498.261754

ΔHf, kcal/mol:

-45.52

Dipole, Da:

2.71

IP(EA), eV:

 -9.24(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4aS,6S,6aS,7R,10aR,10bR)-7-hydroxy-7-(hydroxymethyl)-4a,6a,10b-trimethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] (E)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C=CC(CCC1=CC=CC=C1)(CCC(CCC2=CC=CC=C2)(C=C)O)O

DOS

IR

Vibrations