Geometry & MOs

Info

ID:

396013

PubChem CID:

135027200

Reduced:

SO9H34C38 (1)

Stoich.:

AB9C34D38 (1)

Weight, g/mol:

666.192354

ΔHf, kcal/mol:

-217.02

Dipole, Da:

6.96

IP(EA), eV:

 -8.38(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(benzenesulfonyl)-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),3,5,15,18,20,22(30),25,28-decaen-12-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=C(C=C3CCC4=C(C3=C2)C(=C(C=C4)OC)OC5=C(C(=O)OC=C5)O)OC)CCC(=C)S(=O)(=O)C6=CC=CC=C6

DOS

IR

Vibrations