Geometry & MOs

Info

ID:

380073

PubChem CID:

134964886

Reduced:

ClNO2C10H13 (1)

Stoich.:

ABC2D10E13 (1)

Weight, g/mol:

288.039105

ΔHf, kcal/mol:

-57.08

Dipole, Da:

6.89

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754580

Charge, e:

 0

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylimino-methyl-oxo-phenyl-lambda6-sulfane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@@H](CC(=O)O)C[NH3+])Cl

DOS

IR

Vibrations