Geometry & MOs

Info

ID:	219668
PubChem CID:	85164409
Reduced:	O12C27H32 (1)
Stoich.:	A12B27C32 (1)
Weight, g/mol:	548.154968
ΔH_f, kcal/mol:	-476.66
Dipole, Da:	2.61
IP(EA), eV:	-9.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

CC(=CCO)COC1C(C(C(C(O1)CO)O)OC(=O)CC2=CC(=C(C=C2)O)O)OC(=O)CC3=CC=C(C=C3)O

DOS

IR

Vibrations