Geometry & MOs

Info

ID:	190773
PubChem CID:	78054438
Reduced:	FO2N5H28C30 (1)
Stoich.:	AB2C5D28E30 (1)
Weight, g/mol:	563.00668
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	5.52
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1(CC2=NC3=NNC(=C3C(=C2C(=O)C1)C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(C6CC6)C(=O)N)C

DOS

IR

Vibrations