Geometry & MOs

Info

ID:	164499
PubChem CID:	74407072
Reduced:	PSN2O10C11H17 (1)
Stoich.:	ABC2D10E11F17 (1)
Weight, g/mol:	402.049803
ΔH_f, kcal/mol:	-474.46
Dipole, Da:	2.42
IP(EA), eV:	-10.31(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]ethylsulfonylmethylphosphonic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)C=CS(=O)(=O)CP(=O)(O)O)O)O

DOS

IR

Vibrations