Geometry & MOs

Info

ID:	17330
PubChem CID:	493062
Reduced:	PSN3O5C8H14 (1)
Stoich.:	ABC3D5E8F14 (1)
Weight, g/mol:	295.039179
ΔH_f, kcal/mol:	-233.09
Dipole, Da:	3.88
IP(EA), eV:	-8.95(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyethoxymethylphosphonic acid

Drug info:

PubChemData

Smile

CSC1=NC(=CC(=N1)OCCOCP(=O)(O)O)N

DOS

IR

Vibrations