Geometry & MOs

Info

ID:	9698
PubChem CID:	92478
Reduced:	PSN2O4C7H19 (1)
Stoich.:	ABC2D4E7F19 (1)
Weight, g/mol:	258.080315
ΔH_f, kcal/mol:	-253.7
Dipole, Da:	4.66
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-hydroxyethylamino)propylamino]ethylsulfanylphosphonic acid

Drug info:

PubChemData

Smile

C(CNCCO)CNCCSP(=O)(O)O

DOS

IR

Vibrations