Geometry & MOs

Info

ID:

7375

PubChem CID:

72294

Reduced:

O4C17H18 (2)

Stoich.:

A4B17C18 (2)

Weight, g/mol:

572.241018

ΔHf, kcal/mol:

-261.21

Dipole, Da:

8.37

IP(EA), eV:

 -9.47(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-benzoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations