Geometry & MOs

Info

ID:	444717
PubChem CID:	135263330
Reduced:	O3N5C31H39 (1)
Stoich.:	A3B5C31D39 (1)
Weight, g/mol:	301.082247
ΔH_f, kcal/mol:	-67.33
Dipole, Da:	4.01
IP(EA), eV:	-8.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hypofluorite

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CN=C(N=C3)N4CCC(CC4)C(=O)C)N5CCCCC5

DOS

IR

Vibrations