Geometry & MOs

Info

ID:	308349
PubChem CID:	125326267
Reduced:	N5O8C16H19 (1)
Stoich.:	A5B8C16D19 (1)
Weight, g/mol:	409.123363
ΔH_f, kcal/mol:	-272.41
Dipole, Da:	7.22
IP(EA), eV:	-9.74(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@H]([C@@H]([C@H](O1)N2CN=C3C2=NC(=O)N=C3N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations