Geometry & MOs

Info

ID:	384295
PubChem CID:	134976702
Reduced:	SN2O5H28C29 (1)
Stoich.:	AB2C5D28E29 (1)
Weight, g/mol:	450.1112
ΔH_f, kcal/mol:	-99.89
Dipole, Da:	10.6
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bicyclo[2.2.2]octanyl-bromo-triphenyl-lambda5-phosphane

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC[C@H](N([C@H]1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations