Geometry & MOs

Info

ID:	218233
PubChem CID:	85089065
Reduced:	NCl3O6C17H20 (1)
Stoich.:	AB3C6D17E20 (1)
Weight, g/mol:	440.122095
ΔH_f, kcal/mol:	-270.79
Dipole, Da:	4.24
IP(EA), eV:	-10.38(-1.11)
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;chloride

Drug info:

PubChemData

Smile

CC1(C2CCC13C(C2)OCCOC(=O)C(C4C(N(C3=O)C(=O)O4)Cl)(Cl)Cl)C

DOS

IR

Vibrations