Geometry & MOs

Info

ID:

383607

PubChem CID:

134975415

Reduced:

NSO2C13H14 (1)

Stoich.:

ABC2D13E14 (1)

Weight, g/mol:

306.95278

ΔHf, kcal/mol:

-49.42

Dipole, Da:

2.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759935

Charge, e:

 0

Chem-info

IUPAC name:

2-iodo-3-methoxy-1-methyl-2,1-benzothiazole

Drug info:

PubChemData

Smile

CCC(=O)C1=C(SC(=[N+]1C)C2=CC=CC=C2)O

DOS

IR

Vibrations