Geometry & MOs

Info

ID:

27547

PubChem CID:

821981

Reduced:

ClNOSC13H15 (1)

Stoich.:

ABCDE13F15 (1)

Weight, g/mol:

305.92115

ΔHf, kcal/mol:

-6.01

Dipole, Da:

3.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.247513

Charge, e:

 0

Chem-info

IUPAC name:

5-iodo-3-methyl-1-benzothiophene 1,1-dioxide

Drug info:

PubChemData

Smile

C[N@@+]1(CC2=C(C1)SC3=C2C=C(C=C3)Cl)CCO

DOS

IR

Vibrations