Geometry & MOs

Info

ID:	185661
PubChem CID:	77327812
Reduced:	FSN2O6C29H43 (1)
Stoich.:	ABC2D6E29F43 (1)
Weight, g/mol:	598.27645
ΔH_f, kcal/mol:	-351.33
Dipole, Da:	5.74
IP(EA), eV:	-8.38(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(2,2-diphenylethylamino)-2-[2-(1,2,4-triazol-1-yl)ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCC2C(C3C(C3C2(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N)F

DOS

IR

Vibrations