Geometry & MOs

Info

ID:

220203

PubChem CID:

85165359

Reduced:

Si3O5C37H62 (1)

Stoich.:

A3B5C37D62 (1)

Weight, g/mol:

671.104091

ΔHf, kcal/mol:

-382.71

Dipole, Da:

2.13

IP(EA), eV:

 -9.04(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-3-phenyl-1,3-thiazolidin-4-one;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC1CC(C(C1CC(=O)OC)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[Si](CC)(CC)CC

DOS

IR

Vibrations