Geometry & MOs

Info

ID:

52780

PubChem CID:

12015947

Reduced:

O9C61H90 (1)

Stoich.:

A9B61C90 (1)

Weight, g/mol:

616.358401

ΔHf, kcal/mol:

-314.52

Dipole, Da:

8.65

IP(EA), eV:

 -8.89(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[tert-butyl(diphenyl)silyl]oxyacetate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)(C)O[C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)/C)/C

DOS

IR

Vibrations