Geometry & MOs

Info

ID:

187518

PubChem CID:

77583559

Reduced:

ClNO5C35H38 (1)

Stoich.:

ABC5D35E38 (1)

Weight, g/mol:

641.357022

ΔHf, kcal/mol:

-140.93

Dipole, Da:

8.71

IP(EA), eV:

 -8.42(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,9,13-tetramethyl-16-(2-methyl-1,3-benzothiazol-5-yl)-7-prop-2-enyl-1-oxacyclohexadec-13-ene-2,6-dione

Drug info:

PubChemData

Smile

C1CC2C34CCN(C(C3(C1)OCC5=CC=C(C=C5)C(=O)O)CC6=C4C(=C(C=C6)OCC7=CC=CC=C7)O2)CC8CC8.Cl

DOS

IR

Vibrations