Geometry & MOs

Info

ID:

137706

PubChem CID:

52247143

Reduced:

BrNSO4C14H19 (1)

Stoich.:

ABCD4E14F19 (1)

Weight, g/mol:

378.86135

ΔHf, kcal/mol:

-129.77

Dipole, Da:

6.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755018

Charge, e:

 -1

Chem-info

IUPAC name:

5-bromo-N-(5-chlorothiophen-2-yl)sulfonylpyridine-3-carboximidate

Drug info:

PubChemData

Smile

CCC(CC)C(=NS(=O)(=O)C1=C(C=CC(=C1)Br)OCC)[O-]

DOS

IR

Vibrations