Geometry & MOs

Info

ID:	44657
PubChem CID:	10505148
Reduced:	N2O7H24C27 (1)
Stoich.:	A2B7C24D27 (1)
Weight, g/mol:	488.224367
ΔH_f, kcal/mol:	-157.82
Dipole, Da:	9.86
IP(EA), eV:	-8.53(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@@H]4C[C@]45C3=CC(=O)C6=C(C=CC=C56)C(=O)OC)OC)OC

DOS

IR

Vibrations