Geometry & MOs

Info

ID:	392382
PubChem CID:	135015107
Reduced:	SiO4C24H32 (1)
Stoich.:	AB4C24D32 (1)
Weight, g/mol:	511.145161
ΔH_f, kcal/mol:	-194.8
Dipole, Da:	1.71
IP(EA), eV:	-9.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-3,4-diacetyloxy-5-[6-(benzotriazol-1-yloxy)purin-9-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3CC(=O)C[C@@H](O3)CCO

DOS

IR

Vibrations