Geometry & MOs

Info

ID:	219671
PubChem CID:	85164416
Reduced:	SiO5C33H44 (1)
Stoich.:	AB5C33D44 (1)
Weight, g/mol:	549.201219
ΔH_f, kcal/mol:	-192.47
Dipole, Da:	3.37
IP(EA), eV:	-8.26(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2-amino-6-phenylmethoxypurin-9-yl)methyl]-4-benzoyloxybut-2-enyl] benzoate

Drug info:

PubChemData

Smile

CC(CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)C(C(CO)C=C)OCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations