Geometry & MOs

Info

ID:	302044
PubChem CID:	124338865
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	489.115157
ΔH_f, kcal/mol:	-117.64
Dipole, Da:	4.19
IP(EA), eV:	-8.85(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[[(2S,3S,4S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N[C@@H](C)COC)OC

DOS

IR

Vibrations