Geometry & MOs

Info

ID:	405115
PubChem CID:	135072639
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	813.262105
ΔH_f, kcal/mol:	12.62
Dipole, Da:	2.75
IP(EA), eV:	-8.62(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(3aR,6R,6aR)-2,2-dioxo-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]-N-tritylpurin-6-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/N(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations