Geometry & MOs

Info

ID:	326748
PubChem CID:	126688127
Reduced:	SO5N6C19H24 (1)
Stoich.:	AB5C6D19E24 (1)
Weight, g/mol:	431.089954
ΔH_f, kcal/mol:	-125.56
Dipole, Da:	5.04
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H](C[C@H](N1C=NC2=C(N=CN=C21)N[C@H]3CCC4=CC=CC=C34)O)COS(=O)(=O)N

DOS

IR

Vibrations