Geometry & MOs

Info

ID:	178969
PubChem CID:	76411506
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	743.31798
ΔH_f, kcal/mol:	-216.92
Dipole, Da:	1.86
IP(EA), eV:	-9.67(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-[(1-benzylpyrrolidin-3-yl)amino]-6-(2,2-diphenylethylamino)purin-9-yl]-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-formyloxyoxolan-3-yl] formate

Drug info:

PubChemData

Smile

CC1(OC2CC(O1)(CC2NC(=O)OCC3=CC=CC=C3)CO)C

DOS

IR

Vibrations