Geometry & MOs

Info

ID:	267
PubChem CID:	2460
Reduced:	PN5O8C18H24 (1)
Stoich.:	AB5C8D18E24 (1)
Weight, g/mol:	469.13625
ΔH_f, kcal/mol:	-346.55
Dipole, Da:	2.47
IP(EA), eV:	-9.71(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC

DOS

IR

Vibrations