Geometry & MOs

Info

ID:

13538

PubChem CID:

243725

Reduced:

O6C23H24 (1)

Stoich.:

A6B23C24 (1)

Weight, g/mol:

396.157288

ΔHf, kcal/mol:

-197.22

Dipole, Da:

2.44

IP(EA), eV:

 -8.18(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,6R,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC

DOS

IR

Vibrations