Geometry & MOs

Info

ID:	112
PubChem CID:	2141
Reduced:	PSN2O3C5H15 (1)
Stoich.:	ABC2D3E5F15 (1)
Weight, g/mol:	214.054101
ΔH_f, kcal/mol:	-205.77
Dipole, Da:	2.91
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopropylamino)ethylsulfanylphosphonic acid

Drug info:

PubChemData

Smile

C(CN)CNCCSP(=O)(O)O

DOS

IR

Vibrations