Geometry & MOs

Info

ID:

150663

PubChem CID:

53790357

Reduced:

N3O3H12C13 (1)

Stoich.:

A3B3C12D13 (1)

Weight, g/mol:

281.072179

ΔHf, kcal/mol:

-52.68

Dipole, Da:

1.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.914926

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=[N+](N1)C(=O)NC3=CC=CC=C32

DOS

IR

Vibrations