Geometry & MOs

Info

ID:	187601
PubChem CID:	77595689
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	539.138141
ΔH_f, kcal/mol:	28.9
Dipole, Da:	2.84
IP(EA), eV:	-9.06(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-aminopurin-9-yl)-2-[[6-(3,5-difluorophenyl)-4,4-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinin-2-yl]oxymethyl]-4-methoxyoxolan-3-ol

Drug info:

PubChemData

Smile

C1CC(=O)NC2C1C=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations