Geometry & MOs

Info

ID:	177188
PubChem CID:	76144142
Reduced:	ClN3F4O4H18C26 (1)
Stoich.:	AB3C4D4E18F26 (1)
Weight, g/mol:	453.10495
ΔH_f, kcal/mol:	-264.16
Dipole, Da:	5.97
IP(EA), eV:	-8.63(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)C2=CC=C(C=C2)N3C4C(C=C3Cl)NC(=O)N(C4=O)C5=CC=CC(=C5F)C(F)(F)F

DOS

IR

Vibrations