Geometry & MOs

Info

ID:	181772
PubChem CID:	76791142
Reduced:	N5O7C23H33 (1)
Stoich.:	A5B7C23D33 (1)
Weight, g/mol:	491.237998
ΔH_f, kcal/mol:	-279.47
Dipole, Da:	2.89
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-[6-[[3-(2-methylpropanoyloxy)cyclopentyl]amino]purin-9-yl]oxolan-2-yl]methyl 2-methylpropanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)NC4CCCC4OC(=O)CCC)O)O

DOS

IR

Vibrations