Geometry & MOs

Info

ID:	218345
PubChem CID:	85089208
Reduced:	PN3O8C19H24 (1)
Stoich.:	AB3C8D19E24 (1)
Weight, g/mol:	451.125685
ΔH_f, kcal/mol:	-366.62
Dipole, Da:	6.94
IP(EA), eV:	-10.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[ethoxy(phenoxy)phosphoryl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(NC(C3=CC=CC=C3)C(=O)OC)O

DOS

IR

Vibrations