Geometry & MOs

Info

ID:	326747
PubChem CID:	126688126
Reduced:	SO5N6C19H20 (1)
Stoich.:	AB5C6D19E20 (1)
Weight, g/mol:	448.152889
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	4.37
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-4-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-4-hydroxy-2-methoxybutyl] sulfamate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H](C6[C@@H](C6OS(=O)(=O)N)O5)O

DOS

IR

Vibrations