Geometry & MOs

Info

ID:

194888

PubChem CID:

78603663

Reduced:

ClN2O4C19H24 (1)

Stoich.:

AB2C4D19E24 (1)

Weight, g/mol:

307.124215

ΔHf, kcal/mol:

-93.01

Dipole, Da:

4.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753553

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC(COCC2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CO3

DOS

IR

Vibrations