Geometry & MOs

Info

ID:	159488
PubChem CID:	57288171
Reduced:	NSO4C12H13 (2)
Stoich.:	ABC4D12E13 (2)
Weight, g/mol:	430.13493
ΔH_f, kcal/mol:	-237.42
Dipole, Da:	3.51
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-[6-amino-2-[(4-nitrophenyl)methyldiazenyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=NC=C(C=CN1S(=O)(=O)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations