Geometry & MOs

Info

ID:	16025
PubChem CID:	457974
Reduced:	PN3O7C10H14 (1)
Stoich.:	AB3C7D10E14 (1)
Weight, g/mol:	319.056937
ΔH_f, kcal/mol:	-337.36
Dipole, Da:	3.49
IP(EA), eV:	-9.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4R)-4-(4-acetamido-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methylphosphonic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=O)N(C=C1)[C@H]2CO[C@H](O2)CP(=O)(O)O

DOS

IR

Vibrations