Geometry & MOs

Info

ID:	384403
PubChem CID:	134976923
Reduced:	NPSO3H18C21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	368.14798
ΔH_f, kcal/mol:	-16.09
Dipole, Da:	19.27
IP(EA), eV:	-9.63(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo(tributyl)-lambda5-phosphanyl]ethyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CC(C#N)S(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations