Geometry & MOs

Info

ID:

194125

PubChem CID:

78487564

Reduced:

N2O4C21H21 (1)

Stoich.:

A2B4C21D21 (1)

Weight, g/mol:

359.075165

ΔHf, kcal/mol:

-60.63

Dipole, Da:

4.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.780584

Charge, e:

 1

Chem-info

IUPAC name:

2-(2,4-dichlorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=O)CCCC(=O)[O-]

DOS

IR

Vibrations