Geometry & MOs

Info

ID:	146617
PubChem CID:	53718876
Reduced:	BNO3C8H14 (1)
Stoich.:	ABC3D8E14 (1)
Weight, g/mol:	423.084869
ΔH_f, kcal/mol:	-61.19
Dipole, Da:	1.76
IP(EA), eV:	-8.25(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenoxymethyl)oxolan-2-yl]purin-6-yl]sulfamic acid

Drug info:

PubChemData

Smile

[B]C1CN(CC(O1)CC)C(=O)OC

DOS

IR

Vibrations