Geometry & MOs

Info

ID:	84202
PubChem CID:	49865028
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	513.202362
ΔH_f, kcal/mol:	-42.64
Dipole, Da:	5.22
IP(EA), eV:	-8.01(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5S)-3-acetyloxy-4-fluoro-3,4-dimethyl-5-(6-morpholin-4-ylpurin-9-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)O

DOS

IR

Vibrations