Geometry & MOs

Info

ID:	189293
PubChem CID:	77839310
Reduced:	OC27H46 (1)
Stoich.:	AB27C46 (1)
Weight, g/mol:	559.206698
ΔH_f, kcal/mol:	-122.83
Dipole, Da:	2.45
IP(EA), eV:	-9.12(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl] 2-acetyloxybenzoate

Drug info:

PubChemData

Smile

CCCCCC1CC(CCC12CC3(C2=O)CCCCC3)C4CCC(CC4)CC

DOS

IR

Vibrations