Geometry & MOs

Info

ID:	434445
PubChem CID:	135174931
Reduced:	PN5O5C10H14 (1)
Stoich.:	AB5C5D10E14 (1)
Weight, g/mol:	660.102932
ΔH_f, kcal/mol:	-206.03
Dipole, Da:	3.91
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [(3R)-2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)O)C2=C3N=CN=C(N3N=C2)N

DOS

IR

Vibrations