Geometry & MOs

Info

ID:

396014

PubChem CID:

135027201

Reduced:

SO9H34C38 (1)

Stoich.:

AB9C34D38 (1)

Weight, g/mol:

524.183503

ΔHf, kcal/mol:

-225.17

Dipole, Da:

5.26

IP(EA), eV:

 -8.34(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-hydroxy-5,19,27-trimethoxy-13,17-dioxaheptacyclo[16.9.3.110,14.02,7.011,16.022,30.025,29]hentriaconta-1(27),2(7),3,5,10(31),15,18,20,22(30),25,28-undecaen-12-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C=C4CCC5=C(C4=C3)C(=C(C=C5)OC)OC6=CC7CC(C6(C(=O)O7)O)(CC2)S(=O)(=O)C8=CC=CC=C8)OC

DOS

IR

Vibrations