Geometry & MOs

Info

ID:	57257
PubChem CID:	22395548
Reduced:	INSO4H6C9 (1)
Stoich.:	ABCD4E6F9 (1)
Weight, g/mol:	487.146814
ΔH_f, kcal/mol:	-110.24
Dipole, Da:	3.14
IP(EA), eV:	-9.63(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-4,6-dioxononan-5-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=O)NC2=C1C(=CC(=C2)I)S(=O)(=O)O

DOS

IR

Vibrations