Geometry & MOs

Info

ID:

222861

PubChem CID:

85332793

Reduced:

FN3O5H28C30 (1)

Stoich.:

AB3C5D28E30 (1)

Weight, g/mol:

565.190101

ΔHf, kcal/mol:

-140.76

Dipole, Da:

3.96

IP(EA), eV:

 -8.44(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-chloro-6,10-dihydroxy-5,9,9-trimethyl-14-(2-methyl-1,3-benzothiazol-5-yl)-7-prop-2-enyl-3,13,17-trioxabicyclo[14.1.0]heptadecane-8,12-dione

Drug info:

PubChemData

Smile

CN1C(=C(C2=C1N=CC=C2)C=CC(=O)N3CC(C4=CC(=C(C=C4C3)OC)OC)C(=O)OC)C5=CC=C(C=C5)F

DOS

IR

Vibrations