Geometry & MOs

Info

ID:	224420
PubChem CID:	85342748
Reduced:	FN2O3C26H31 (1)
Stoich.:	AB2C3D26E31 (1)
Weight, g/mol:	439.133927
ΔH_f, kcal/mol:	-95.76
Dipole, Da:	7.34
IP(EA), eV:	-8.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-(2-amino-7-methyl-6,8-dioxo-5H-purin-9-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC(CC2NC4=CC=C(C=C4)[N+](=O)[O-])F)CCC5=C3C=CC(=C5)OC

DOS

IR

Vibrations