Geometry & MOs

Info

ID:	337568
PubChem CID:	127258191
Reduced:	O3N6C10H14 (1)
Stoich.:	A3B6C10D14 (1)
Weight, g/mol:	463.105875
ΔH_f, kcal/mol:	-69.5
Dipole, Da:	4.73
IP(EA), eV:	-8.98(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-3-fluorooxolan-2-yl]methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@@H]1N2C3=NC(=NC(=C3C=N2)N)N)CO)O

DOS

IR

Vibrations