Geometry & MOs

Info

ID:	47084
PubChem CID:	10529470
Reduced:	ISN3O3H14C20 (1)
Stoich.:	ABC3D3E14F20 (1)
Weight, g/mol:	423.224163
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	2.31
IP(EA), eV:	-9.38(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dodeca-3,6-diynyl(triphenyl)phosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations