Geometry & MOs

Info

ID:

173831

PubChem CID:

75689478

Reduced:

SO3N4C17H27 (1)

Stoich.:

AB3C4D17E27 (1)

Weight, g/mol:

396.94079

ΔHf, kcal/mol:

-116.63

Dipole, Da:

2.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.958398

Charge, e:

 1

Chem-info

IUPAC name:

4,5-dibromo-N-(2-pyrrolidin-1-ium-1-ylpropyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

DOS

IR

Vibrations