Geometry & MOs

Info

ID:

397453

PubChem CID:

135030238

Reduced:

ClO6H25C26 (1)

Stoich.:

AB6C25D26 (1)

Weight, g/mol:

468.133966

ΔHf, kcal/mol:

-186.55

Dipole, Da:

4.33

IP(EA), eV:

 -9.01(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-16-chloro-11-hydroxy-3,17-dimethoxy-11-methyl-14-phenylmethoxy-8-oxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-9-one

Drug info:

PubChemData

Smile

C[C@]1(CC2=C(C3=C(C=CC=C3OC)OC(=O)C1)C(=C(C=C2OCC4=CC=CC=C4)Cl)OC)O

DOS

IR

Vibrations