Geometry & MOs

Info

ID:	385141
PubChem CID:	134978398
Reduced:	NPF3O7C11H13 (1)
Stoich.:	ABC3D7E11F13 (1)
Weight, g/mol:	433.995005
ΔH_f, kcal/mol:	-464.47
Dipole, Da:	18.09
IP(EA), eV:	-8.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)OP(=O)(O)O)[NH3+].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations