Geometry & MOs

Info

ID:

85552

PubChem CID:

49876769

Reduced:

BrClSN3O3C24H26 (1)

Stoich.:

ABCD3E3F24G26 (1)

Weight, g/mol:

297.046452

ΔHf, kcal/mol:

-10.1

Dipole, Da:

2.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750057

Charge, e:

 -1

Chem-info

IUPAC name:

(5Z)-3-(2-aminoethyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C2N(C(=O)/C(=C/C3=CC=C(C=C3)Br)/S2)CCCN4CCOCC4.[Cl-]

DOS

IR

Vibrations