Geometry & MOs

Info

ID:

7374

PubChem CID:

72292

Reduced:

O8C37H58 (1)

Stoich.:

A8B37C58 (1)

Weight, g/mol:

630.413169

ΔHf, kcal/mol:

-370.71

Dipole, Da:

9.65

IP(EA), eV:

 -9.1(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)OC)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C

DOS

IR

Vibrations