Geometry & MOs

Info

ID:	184947
PubChem CID:	77233819
Reduced:	SiN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	475.085835
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	7.08
IP(EA), eV:	-9.2(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-(1-benzothiophen-3-ylmethylamino)-9-[3,4-dihydroxy-5-[(sulfinatoamino)methyl]oxolan-2-yl]purine

Drug info:

PubChemData

Smile

CC(C)C(CO[Si](C)(C)C(C)(C)C)NC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-]

DOS

IR

Vibrations