Geometry & MOs

Info

ID:	384502
PubChem CID:	134977105
Reduced:	P2O5C12H28 (1)
Stoich.:	A2B5C12D28 (1)
Weight, g/mol:	538.021219
ΔH_f, kcal/mol:	-380.29
Dipole, Da:	4.55
IP(EA), eV:	-10.61(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-5-phenacyl-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CCP(=O)(OCC(C)C)OP(=O)(CC)OCC(C)C

DOS

IR

Vibrations