Geometry & MOs

Info

ID:	220675
PubChem CID:	85202389
Reduced:	ClN3O9C30H38 (1)
Stoich.:	AB3C9D30E38 (1)
Weight, g/mol:	647.162783
ΔH_f, kcal/mol:	-398.57
Dipole, Da:	3.17
IP(EA), eV:	-9.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-aminopurin-9-yl)-4-benzoyloxy-5-(benzoyloxymethyl)oxolan-3-yl] 3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1Cl)C(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations