Geometry & MOs

Info

ID:

15505

PubChem CID:

442826

Reduced:

O7H22C23 (1)

Stoich.:

A7B22C23 (1)

Weight, g/mol:

410.136553

ΔHf, kcal/mol:

-229.6

Dipole, Da:

4.32

IP(EA), eV:

 -8.26(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,14S)-11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one

Drug info:

PubChemData

Smile

CC1(C=CC2=C(O1)C=C(C3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)O)C

DOS

IR

Vibrations