Geometry & MOs

Info

ID:	85228
PubChem CID:	49872614
Reduced:	O5C22H32 (1)
Stoich.:	A5B22C32 (1)
Weight, g/mol:	498.233916
ΔH_f, kcal/mol:	-225.93
Dipole, Da:	5.58
IP(EA), eV:	-9.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5R)-5-[6-amino-2-[3-[cyclopentyl(methylcarbamoyl)amino]prop-1-ynyl]purin-9-yl]-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C=C(C(=O)OCC(C)C)C(=O)OCC(C)C

DOS

IR

Vibrations