Geometry & MOs

Info

ID:

32247

PubChem CID:

6436156

Reduced:

NO3C10H14 (2)

Stoich.:

AB3C10D14 (2)

Weight, g/mol:

628.412775

ΔHf, kcal/mol:

-208.4

Dipole, Da:

1.28

IP(EA), eV:

 -8.69(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-2-phenylethenyl] (2S,4aS,6aR,6aR,6bS,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6a,6b,9,9,12a-octamethyl-13-oxo-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCN(CC1)C(=O)/C=C\C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations