Geometry & MOs

Info

ID:	46372
PubChem CID:	10524115
Reduced:	ClO6C19H25 (1)
Stoich.:	AB6C19D25 (1)
Weight, g/mol:	385.075147
ΔH_f, kcal/mol:	-280.75
Dipole, Da:	3.04
IP(EA), eV:	-9.14(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]-1,1-difluoroethyl]phosphonic acid

Drug info:

PubChemData

Smile

COC(=O)C[C@]1(C[C@H](OC1=O)CCCCCCC2=C(C=C(C=C2)Cl)O)O

DOS

IR

Vibrations