Geometry & MOs

Info

ID:	23751
PubChem CID:	605889
Reduced:	NPSO3C14H26 (1)
Stoich.:	ABCD3E14F26 (1)
Weight, g/mol:	319.137102
ΔH_f, kcal/mol:	-235.82
Dipole, Da:	1.25
IP(EA), eV:	-9.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-adamantyl)ethylamino]ethylsulfanylphosphonic acid

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CCNCCSP(=O)(O)O

DOS

IR

Vibrations