Geometry & MOs

Info

ID:	209545
PubChem CID:	80686886
Reduced:	BrON6C12H15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	30.47
Dipole, Da:	5.12
IP(EA), eV:	-8.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(4-oxocyclohexyl)-2-phenylethanesulfonamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=N1)Br)C(=O)NCCC2=NN(C=N2)C

DOS

IR

Vibrations