Geometry & MOs

Info

ID:	431773
PubChem CID:	135171879
Reduced:	BrON2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	460.006252
ΔH_f, kcal/mol:	-45.26
Dipole, Da:	3.26
IP(EA), eV:	-8.47(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-oxophosphonamidic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)OC)C2=C(C=C(C=C2)Br)N

DOS

IR

Vibrations