Geometry & MOs

Info

ID:	219216
PubChem CID:	85096569
Reduced:	O11C22H24 (1)
Stoich.:	A11B22C24 (1)
Weight, g/mol:	464.166547
ΔH_f, kcal/mol:	-421.76
Dipole, Da:	4.08
IP(EA), eV:	-8.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate;acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C3C(=CC(=CC3=C2OC)OC)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)O1

DOS

IR

Vibrations