Geometry & MOs

Info

ID:	307271
PubChem CID:	125299315
Reduced:	OSN4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	546.955929
ΔH_f, kcal/mol:	107.57
Dipole, Da:	4.97
IP(EA), eV:	-8.93(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S,3S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1C(=NN=C1C(=O)NCCC2=C3C=CC=CC3=NC2)C4=CC=CS4

DOS

IR

Vibrations