Geometry & MOs

Info

ID:	164498
PubChem CID:	74407071
Reduced:	PSN2O10C17H29 (1)
Stoich.:	ABC2D10E17F29 (1)
Weight, g/mol:	400.034153
ΔH_f, kcal/mol:	-498.09
Dipole, Da:	3.89
IP(EA), eV:	-10.68(-0.52)
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]ethenylsulfonylmethylphosphonic acid

Drug info:

PubChemData

Smile

CC(C)OP(=O)(CS(=O)(=O)C=CC1C(C(C(O1)N2CCC(=O)NC2=O)O)O)OC(C)C

DOS

IR

Vibrations