Geometry & MOs

Info

ID:	384620
PubChem CID:	134977341
Reduced:	PSN3O4C20H32 (1)
Stoich.:	ABC3D4E20F32 (1)
Weight, g/mol:	381.125231
ΔH_f, kcal/mol:	-245.28
Dipole, Da:	2.61
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

triazanium;[[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphinothioyl] phosphate

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N2)C(CN)(COP(=S)(O)O)O

DOS

IR

Vibrations