Geometry & MOs

Info

ID:	396812
PubChem CID:	135029266
Reduced:	PO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	448.94828
ΔH_f, kcal/mol:	-268.16
Dipole, Da:	2.15
IP(EA), eV:	-9.29(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8-dibromo-2-(4-methylphenyl)sulfonyl-2-azatricyclo[3.3.1.13,7]decane

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)OC1=CC=CC=C1C)OCC

DOS

IR

Vibrations