Geometry & MOs

Info

ID:	192827
PubChem CID:	78317311
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	468.01
ΔH_f, kcal/mol:	-109.33
Dipole, Da:	5.61
IP(EA), eV:	-9.17(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2NC3CCN(CC3C(=O)N2)CC(COCC=C)O

DOS

IR

Vibrations