Geometry & MOs

Info

ID:	18486
PubChem CID:	541690
Reduced:	PSO3N4C12H29 (1)
Stoich.:	ABC3D4E12F29 (1)
Weight, g/mol:	340.169799
ΔH_f, kcal/mol:	-216.37
Dipole, Da:	2.68
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethylsulfanylphosphonic acid

Drug info:

PubChemData

Smile

CC(C)NC(=NCCCNCCSP(=O)(O)O)NC(C)C

DOS

IR

Vibrations