Geometry & MOs

Info

ID:	191697
PubChem CID:	78179199
Reduced:	SO3N5C24H33 (1)
Stoich.:	AB3C5D24E33 (1)
Weight, g/mol:	249.051457
ΔH_f, kcal/mol:	-70.92
Dipole, Da:	5.69
IP(EA), eV:	-8.53(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dioxo-1,2,4-triazinan-2-yl)but-2-enylphosphonic acid

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C)N2CCN(CC2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations