Geometry & MOs

Info

ID:	193000
PubChem CID:	78335853
Reduced:	O2N7C27H41 (1)
Stoich.:	A2B7C27D41 (1)
Weight, g/mol:	468.095099
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	10.64
IP(EA), eV:	-8.92(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-5H-purin-9-yl)oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=NN1C2CCCC2)N(CC3CC4CCC(CC4NC3=O)OC)CC5=CN=CC=C5

DOS

IR

Vibrations