Geometry & MOs

Info

ID:	84845
PubChem CID:	49870301
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	845.298059
ΔH_f, kcal/mol:	67.63
Dipole, Da:	6.25
IP(EA), eV:	-8.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

pentacosa-10,12-diynyl-tris(4-sulfophenyl)phosphanium

Drug info:

PubChemData

Smile

C1CC12CN(CCN2C(=O)C3=CC=CC=C3)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations