Geometry & MOs

Info

ID:

134294

PubChem CID:

51674689

Reduced:

SCl2O4H7C9 (1)

Stoich.:

AB2C4D7E9 (1)

Weight, g/mol:

290.059937

ΔHf, kcal/mol:

-108.56

Dipole, Da:

4.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.782100

Charge, e:

 -1

Chem-info

IUPAC name:

3-[5-[(2-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CS(=O)(=O)CC(=O)[O-])Cl)Cl

DOS

IR

Vibrations