Geometry & MOs

Info

ID:	230580
PubChem CID:	87571424
Reduced:	NPSC26H54 (1)
Stoich.:	ABCD26E54 (1)
Weight, g/mol:	443.371459
ΔH_f, kcal/mol:	-100.16
Dipole, Da:	20.12
IP(EA), eV:	-6.96(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[methyl(trioctyl)-lambda5-phosphanyl] thiocyanate

Drug info:

PubChemData

Smile

CCCCCCCC[P+](C)(CCCCCCCC)CCCCCCCC.C(#N)[S-]

DOS

IR

Vibrations