Geometry & MOs

Info

ID:	184957
PubChem CID:	77234553
Reduced:	NO4C22H37 (1)
Stoich.:	AB4C22D37 (1)
Weight, g/mol:	459.145064
ΔH_f, kcal/mol:	-221.48
Dipole, Da:	2.32
IP(EA), eV:	-9.22(0.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-(2,3-dihydro-1H-inden-1-ylamino)-9-[3,4-dihydroxy-3-methyl-5-[(sulfinatoamino)methyl]oxolan-2-yl]purine

Drug info:

PubChemData

Smile

CC(C)CC(COC)N(CCC1=CC(=CC=C1)CCO)C(=O)OC(C)(C)C

DOS

IR

Vibrations