Geometry & MOs

Info

ID:

411370

PubChem CID:

135084193

Reduced:

ClN2O2H10C11 (1)

Stoich.:

AB2C2D10E11 (1)

Weight, g/mol:

314.99286

ΔHf, kcal/mol:

8.93

Dipole, Da:

6.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.780141

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N,N-diethylethynesulfonamide

Drug info:

PubChemData

Smile

CO/C(=C(/C=C/C1=CC=C(C=C1)Cl)\[N+]#N)/O

DOS

IR

Vibrations