Geometry & MOs

Info

ID:	184958
PubChem CID:	77234554
Reduced:	SO5N6C20H23 (1)
Stoich.:	AB5C6D20E23 (1)
Weight, g/mol:	460.152889
ΔH_f, kcal/mol:	-67.43
Dipole, Da:	3.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.952253
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=NC3=C(N=CN=C32)NC4CCC5=CC=CC=C45)CNS(=O)[O-])O)O

DOS

IR

Vibrations