Geometry & MOs

Info

ID:	168714
PubChem CID:	75007658
Reduced:	N2O5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	532.234213
ΔH_f, kcal/mol:	-141.21
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.074642
Charge, e:	1

Chem-info

IUPAC name:

[1-[[5-[2-[6-(benzylamino)purin-9-yl]ethyl]-3,4-dihydroxyoxolan-2-yl]methyl-hydroxyamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OCC1CC(=NO1)C2=CC(=C(C=C2)OC)O)[NH3+]

DOS

IR

Vibrations