Geometry & MOs

Info

ID:

125063

PubChem CID:

50908500

Reduced:

O3C9H14 (4)

Stoich.:

A3B9C14 (4)

Weight, g/mol:

386.235814

ΔHf, kcal/mol:

-533.93

Dipole, Da:

5.86

IP(EA), eV:

 -8.83(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10R,11R,14R,15R)-11-ethenyl-10-isocyano-8,8,11,18,18-pentamethyl-9-methylidene-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16)-tetraen-15-ol

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H]3[C@@]([C@H]1C(=O)C=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@]3(C)CO)O)O)C

DOS

IR

Vibrations