Geometry & MOs

Info

ID:	58987
PubChem CID:	24770159
Reduced:	OC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	467.097101
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	3.22
IP(EA), eV:	-8.13(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-2-(2-amino-6-cyclopropylpurin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)OCCC(C)C)CC=C

DOS

IR

Vibrations