Geometry & MOs

Info

ID:	221630
PubChem CID:	85285784
Reduced:	PF3N4O8C21H44 (1)
Stoich.:	AB3C4D8E21F44 (1)
Weight, g/mol:	366.043987
ΔH_f, kcal/mol:	-615.46
Dipole, Da:	16.0
IP(EA), eV:	-9.12(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-3-[(2,2,2-trifluoroacetyl)amino]-4-(1,2,3-trihydroxypropyl)azetidin-1-yl]methylphosphonic acid

Drug info:

PubChemData

Smile

CC[NH+](CC)CC.CC[NH+](CC)CC.C(C(C(C1C(C(=O)N1CP(=O)([O-])[O-])NC(=O)C(F)(F)F)O)O)O

DOS

IR

Vibrations