Geometry & MOs

Info

ID:	220668
PubChem CID:	85201813
Reduced:	FS3O5N7H19C20 (1)
Stoich.:	AB3C5D7E19F20 (1)
Weight, g/mol:	551.165867
ΔH_f, kcal/mol:	-62.27
Dipole, Da:	1.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.952245
Charge, e:	0

Chem-info

IUPAC name:

9-[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]purin-6-amine

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)SC=CC2=C(N3C(C(C3=O)NC(=O)C(=NOCF)C4=NSC(=N4)N)SC2)C(=O)O

DOS

IR

Vibrations