Geometry & MOs

Info

ID:	327025
PubChem CID:	126688882
Reduced:	FSO5N6C19H19 (1)
Stoich.:	ABC5D6E19F19 (1)
Weight, g/mol:	433.105605
ΔH_f, kcal/mol:	-123.41
Dipole, Da:	4.87
IP(EA), eV:	-8.83(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4R,5S)-4,5-dihydroxy-3-[6-(2-phenylethyl)purin-9-yl]-2-oxabicyclo[3.1.0]hexan-6-yl] sulfamate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@H]([C@@]6([C@@H](C6OS(=O)(=O)N)O5)O)F

DOS

IR

Vibrations