Geometry & MOs

Info

ID:	223705
PubChem CID:	85335449
Reduced:	SN6O6C21H34 (1)
Stoich.:	AB6C6D21E34 (1)
Weight, g/mol:	501.961335
ΔH_f, kcal/mol:	-225.66
Dipole, Da:	2.12
IP(EA), eV:	-9.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CO)NS(=O)(=O)CCCC1=CC=CC=C1

DOS

IR

Vibrations