Geometry & MOs

Info

ID:

137707

PubChem CID:

52247151

Reduced:

BrClN2S2O3H5C10 (1)

Stoich.:

ABC2D2E3F5G10 (1)

Weight, g/mol:

327.986888

ΔHf, kcal/mol:

39.29

Dipole, Da:

14.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.891178

Charge, e:

 -1

Chem-info

IUPAC name:

N-(5-chlorothiophen-2-yl)sulfonyl-2,3-dimethylbenzenecarboximidate

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)S(=O)(=O)N=C(C2=CC(=CN=C2)Br)[O-]

DOS

IR

Vibrations