Geometry & MOs

Info

ID:

132527

PubChem CID:

51375145

Reduced:

NPO4C11H15 (1)

Stoich.:

ABC4D11E15 (1)

Weight, g/mol:

338.993181

ΔHf, kcal/mol:

-168.0

Dipole, Da:

6.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.074095

Charge, e:

 -1

Chem-info

IUPAC name:

(6-ethoxy-1,3-benzothiazol-2-yl)-thiophen-2-ylsulfonylazanide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)CCP(=O)(C)[O-]

DOS

IR

Vibrations