Geometry & MOs

Info

ID:	15934
PubChem CID:	455602
Reduced:	PSN3O7C10H14 (1)
Stoich.:	ABC3D7E10F14 (1)
Weight, g/mol:	351.029008
ΔH_f, kcal/mol:	-333.63
Dipole, Da:	4.19
IP(EA), eV:	-9.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy]-2-oxoethyl]phosphonic acid

Drug info:

PubChemData

Smile

C1[C@@H](O[C@@H](S1)COC(=O)CP(=O)(O)O)N2C=CC(=NC2=O)N

DOS

IR

Vibrations