Geometry & MOs

Info

ID:	311187
PubChem CID:	126589819
Reduced:	O2N3C32H39 (1)
Stoich.:	A2B3C32D39 (1)
Weight, g/mol:	511.105875
ΔH_f, kcal/mol:	-49.67
Dipole, Da:	6.39
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-5-(6-amino-2-chloropurin-9-yl)-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC3=C(C2)C=CC(=C3)C4=CN=C(C(=C4N5CCC(CC5)(C)C)CC(=O)O)C

DOS

IR

Vibrations