Geometry & MOs

Info

ID:

127706

PubChem CID:

51012586

Reduced:

O5C20H24 (1)

Stoich.:

A5B20C24 (1)

Weight, g/mol:

344.162374

ΔHf, kcal/mol:

-139.39

Dipole, Da:

7.24

IP(EA), eV:

 -9.66(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4S,6S,9S,10S,12R,14S,15R,16R)-12-(furan-3-yl)-10,15,16-trimethyl-2,5,13-trioxapentacyclo[7.5.1.110,14.04,6.04,15]hexadecan-3-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2[C@H]3[C@]4([C@H]([C@@]1(C[C@@H](O2)C5=COC=C5)C)CC[C@H]6[C@]4(O6)C(=O)O3)C

DOS

IR

Vibrations