Geometry & MOs

Info

ID:	326750
PubChem CID:	126688132
Reduced:	FSO4N7C19H22 (1)
Stoich.:	ABC4D7E19F22 (1)
Weight, g/mol:	395.053569
ΔH_f, kcal/mol:	-115.72
Dipole, Da:	5.32
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@H]([C@@H](C(O5)CNS(=O)(=O)N)O)F

DOS

IR

Vibrations