Geometry & MOs

Info

ID:	181771
PubChem CID:	76791141
Reduced:	N5O7C23H33 (1)
Stoich.:	A5B7C23D33 (1)
Weight, g/mol:	491.237998
ΔH_f, kcal/mol:	-281.13
Dipole, Da:	2.43
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[6-[(2-butanoyloxycyclopentyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)NC4CCC(C4)OC(=O)CCC)O)O

DOS

IR

Vibrations