Geometry & MOs

Info

ID:	914
PubChem CID:	3524
Reduced:	PSN5O6C10H12 (1)
Stoich.:	ABC5D6E10F12 (1)
Weight, g/mol:	361.024591
ΔH_f, kcal/mol:	-247.77
Dipole, Da:	15.34
IP(EA), eV:	-9.44(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[2-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1=NC2=C(N1C3C4C(C(O3)CO)OP(=S)(O4)O)NC(=NC2=O)N

DOS

IR

Vibrations