Geometry & MOs

Info

ID:

42485

PubChem CID:

8149610

Reduced:

N2O6H17C21 (1)

Stoich.:

A2B6C17D21 (1)

Weight, g/mol:

304.088164

ΔHf, kcal/mol:

-62.28

Dipole, Da:

13.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.054165

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N/N=C\C2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])OC

DOS

IR

Vibrations