Geometry & MOs

Info

ID:	396813
PubChem CID:	135029267
Reduced:	NSBr2O2C16H19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	436.94828
ΔH_f, kcal/mol:	-80.45
Dipole, Da:	7.56
IP(EA), eV:	-9.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-9-(4-methylphenyl)sulfonyl-9-azabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3CC4CC(C3Br)CC2C4Br

DOS

IR

Vibrations