Geometry & MOs

Info

ID:	307627
PubChem CID:	125307817
Reduced:	SO4N5H19C22 (1)
Stoich.:	AB4C5D19E22 (1)
Weight, g/mol:	428.073491
ΔH_f, kcal/mol:	-41.18
Dipole, Da:	7.65
IP(EA), eV:	-8.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S,5S)-3,4-diacetyloxy-5-(2-chloro-6-oxo-8H-purin-9-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=NC(=O)NC(=O)C4

DOS

IR

Vibrations