Geometry & MOs

Info

ID:	44170
PubChem CID:	10501272
Reduced:	PO5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	402.201553
ΔH_f, kcal/mol:	-196.12
Dipole, Da:	1.59
IP(EA), eV:	-8.51(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5R)-5-[6-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]amino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@@H](CP(C3=CC=CC=C3)C4=CC=CC=C4)O)OC)C

DOS

IR

Vibrations